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4a,7-Methano-4aH-benzocycloheptene-5-carboxylic acid, 1,2,3,4,7,8,9,9a-octahydro-6,7-dimethyl-, (4a.alpha.,7.alpha.,9a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

4a,7-Methano-4aH-benzocycloheptene-5-carboxylic acid, 1,2,3,4,7,8,9,9a-octahydro-6,7-dimethyl-, (4a.alpha.,7.alpha.,9a.alpha.)-(.+-.)-
SpectraBase Compound ID FW7tHTVS8VO
InChI InChI=1S/C15H22O2/c1-10-12(13(16)17)15-7-4-3-5-11(15)6-8-14(10,2)9-15/h11H,3-9H2,1-2H3,(H,16,17)/t11-,14-,15-/m1/s1
InChIKey INFQKWFIIYJPHD-KCPJHIHWSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FI4SGM33jYL
Name 4a,7-Methano-4aH-benzocycloheptene-5-carboxylic acid, 1,2,3,4,7,8,9,9a-octahydro-6,7-dimethyl-, (4a.alpha.,7.alpha.,9a.alpha.)-(.+-.)-
CAS Registry Number 71328-16-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-10-12(13(16)17)15-7-4-3-5-11(15)6-8-14(10,2)9-15/h11H,3-9H2,1-2H3,(H,16,17)/t11-,14-,15-/m1/s1
InChIKey INFQKWFIIYJPHD-KCPJHIHWSA-N
Molecular Weight 234.339 g/mol
SMILES OC(C=1[C@@]23C[C@](C)(C1C)CC[C@]3(CCCC2)[H])=O
SPLASH splash10-0a59-0390000000-de2577ba8262a9bf99d1
Source of Spectrum B-32-822-0
Synonyms (1R,6R,9R)-9,10-dimethyltricyclo[7.2.1.0(1,6)]dodec-10-ene-11-carboxylic acid (E,4aRS,7RS,9aRS)-6,7-dimethyl-1,2,3,4,7,8,9,9a-octahydro-4a,7-methano-4ah-benzocycloheptene-5-carboxylic acid
Wiley ID 1236334