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Benzoic acid, 4-methoxy-, 5,6-bis(methylene)bicyclo[2.2.1]hept-2-yl ester, (1S-endo)-
SpectraBase Compound ID 2kDcPqtYYyK
InChI InChI=1S/C17H18O3/c1-10-11(2)15-8-13(10)9-16(15)20-17(18)12-4-6-14(19-3)7-5-12/h4-7,13,15-16H,1-2,8-9H2,3H3/t13?,15-,16+/m0/s1
InChIKey CVERWBNHEUAOGV-PXWJKWRZSA-N
Mol Weight 270.33 g/mol
Molecular Formula C17H18O3
Exact Mass 270.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gn3xXV1sc10
Name Benzoic acid, 4-methoxy-, 5,6-bis(methylene)bicyclo[2.2.1]hept-2-yl ester, (1S-endo)-
Alternate Name(s) (-)-(1S,2R)-5,6-dimethylidene-2-exo-bicyclo[2.2.1]-heptyl-p-methoxybenzoate (-)-(1S,2S)-5,6-dimethylidene-2-endo-bicyclo[2.2.1]heptyl-p-methoxybenzoate (1R,2R)-5,6-dimethylenebicyclo[2.2.1]hept-2-yl 4-methoxybenzoate
CAS Registry Number 90694-21-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O3
InChI InChI=1S/C17H18O3/c1-10-11(2)15-8-13(10)9-16(15)20-17(18)12-4-6-14(19-3)7-5-12/h4-7,13,15-16H,1-2,8-9H2,3H3/t13?,15-,16+/m0/s1
InChIKey CVERWBNHEUAOGV-PXWJKWRZSA-N
Molecular Weight 270.328 g/mol
SMILES C1(C(C2C[C@@]1([C@](OC(c1ccc(cc1)OC)=O)(C2)[H])[H])=C)=C
SPLASH splash10-000i-0900000000-797735488ac5bdf0f3f4
Source of Spectrum H-67-610-0
Wiley ID 1274572