For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(S,R)-Methyl 3-(4'-methoxybenzoyl)cyclohexanone-2-acetate
SpectraBase Compound ID KmMDyEYganR
InChI InChI=1S/C17H20O5/c1-21-12-8-6-11(7-9-12)17(20)13-4-3-5-15(18)14(13)10-16(19)22-2/h6-9,13-14H,3-5,10H2,1-2H3/t13-,14+/m0/s1
InChIKey XRKRLMIAOFHHFD-UONOGXRCSA-N
Mol Weight 304.34 g/mol
Molecular Formula C17H20O5
Exact Mass 304.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7sz0bnPUEug
Name (S,R)-Methyl 3-(4'-methoxybenzoyl)cyclohexanone-2-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O5
InChI InChI=1S/C17H20O5/c1-21-12-8-6-11(7-9-12)17(20)13-4-3-5-15(18)14(13)10-16(19)22-2/h6-9,13-14H,3-5,10H2,1-2H3/t13-,14+/m0/s1
InChIKey XRKRLMIAOFHHFD-UONOGXRCSA-N
Molecular Weight 304.342 g/mol
SMILES [C@@]1([C@@](C(c2ccc(cc2)OC)=O)(CCCC1=O)[H])(CC(=O)OC)[H]
SPLASH splash10-000i-3900000000-ffbc709400a3b80c5109
Source of Spectrum SO-0-664-5
Synonyms Methyl[(1R,2S)-2-(4-methoxybenzoyl)-6-oxocyclohexyl]acetate
Wiley ID 873040