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(Q76414799)
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English
9-[(1R,2S,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-9-borabicyclo[3.3.1]nonane
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
258.25188139200003
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
alpine borane
1 reference
based on heuristic
inferred from InChI
S-Alpine-Borane
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₃₁B
0 references
canonical SMILES
CC1C(B2C3CCCC2CCC3)CC2CC1C2(C)C
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
B1(C2CCCC1CCC2)[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C
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Identifiers
InChI
InChI=1S/C18H31B/c1-12-16-10-13(18(16,2)3)11-17(12)19-14-6-4-7-15(19)9-5-8-14/h12-17H,4-11H2,1-3H3/t12-,13+,14?,15?,16-,17-/m1/s1
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InChIKey
VCDGSBJCRYTLNU-CJGYBVCLSA-N
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CAS Registry Number
73624-47-2
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PubChem CID
9921373
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UniChem compound ID
24581743
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50432857
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID20383685
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