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

*Links on SpectraBase are not permalinks.
3-[(1S,2S)-3-keto-2-(2-ketoethyl)cycloheptyl]propionic acid ethyl ester
SpectraBase Compound ID 2bMtaXjq4pE
InChI InChI=1S/C14H22O4/c1-2-18-14(17)8-7-11-5-3-4-6-13(16)12(11)9-10-15/h10-12H,2-9H2,1H3/t11-,12-/m0/s1
InChIKey HXKMRJWPSGXKKR-RYUDHWBXSA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 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 4d7JInnn1oA
Name 3-[(1S,2S)-3-keto-2-(2-ketoethyl)cycloheptyl]propionic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-2-18-14(17)8-7-11-5-3-4-6-13(16)12(11)9-10-15/h10-12H,2-9H2,1H3/t11-,12-/m0/s1
InChIKey HXKMRJWPSGXKKR-RYUDHWBXSA-N
Molecular Weight 254.326 g/mol
SMILES C1([C@]([C@](CCC(=O)OCC)(CCCC1)[H])(CC=O)[H])=O
SPLASH splash10-0kbu-3920000000-972a645c82ecdb482e32
Source of Spectrum J-61-6436-11
Synonyms 3-[(1S,2S)-3-oxo-2-(2-oxoethyl)cycloheptyl]propanoic acid ethyl ester Ethyl 3-[(1S,2S)-3-oxidanylidene-2-(2-oxidanylideneethyl)cycloheptyl]propanoate Ethyl 3-[(1S,2S)-3-oxo-2-(2-oxoethyl)cycloheptyl]propanoate
Wiley ID 1257750