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Benzoic acid, 4-methyl-, 5,6-bis(methylene)bicyclo[2.2.1]hept-2-yl ester, (1S-endo)-
SpectraBase Compound ID AtkUPb51cQG
InChI InChI=1S/C17H18O2/c1-10-4-6-13(7-5-10)17(18)19-16-9-14-8-15(16)12(3)11(14)2/h4-7,14-16H,2-3,8-9H2,1H3/t14?,15-,16+/m0/s1
InChIKey WVXSRFFKDMRNJC-MERJSTESSA-N
Mol Weight 254.33 g/mol
Molecular Formula C17H18O2
Exact Mass 254.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzUFHweBakl
Name Benzoic acid, 4-methyl-, 5,6-bis(methylene)bicyclo[2.2.1]hept-2-yl ester, (1S-endo)-
CAS Registry Number 90694-18-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O2
InChI InChI=1S/C17H18O2/c1-10-4-6-13(7-5-10)17(18)19-16-9-14-8-15(16)12(3)11(14)2/h4-7,14-16H,2-3,8-9H2,1H3/t14?,15-,16+/m0/s1
InChIKey WVXSRFFKDMRNJC-MERJSTESSA-N
Molecular Weight 254.329 g/mol
SMILES C1(C(C2C[C@@]1([C@](OC(c1ccc(cc1)C)=O)(C2)[H])[H])=C)=C
SPLASH splash10-014i-1910000000-b69165d4fa7c885784a7
Source of Spectrum H-67-608-0
Synonyms (-)-(1S,2R)-5,6-dimethylidene-2-exo-bicyclo[2.2.1]heptyl-p-methylbenzoate (-)-(1S,2S)-5,6-dimethylidene-2-endo-bicyclo[2.2.1]-heptyl-p-methylbenzoate (1R,2R)-5,6-dimethylenebicyclo[2.2.1]hept-2-yl 4-methylbenzoate
Wiley ID 1258231