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

*Links on SpectraBase are not permalinks.
Methyl (trans)-4-(2'-oxo-3'-methylcyclopentyl)-4-methylvalerate
SpectraBase Compound ID FQSEwfgdmqo
InChI InChI=1S/C13H22O3/c1-9-5-6-10(12(9)15)13(2,3)8-7-11(14)16-4/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKey XGIHUGKMRZMTTB-NXEZZACHSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 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 JA5zIl4mhtA
Name Methyl (trans)-4-(2'-oxo-3'-methylcyclopentyl)-4-methylvalerate
Alternate Name(s) Methyl 4-methyl-4-[(1S,3R)-3-methyl-2-oxocyclopentyl]pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-9-5-6-10(12(9)15)13(2,3)8-7-11(14)16-4/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKey XGIHUGKMRZMTTB-NXEZZACHSA-N
Molecular Weight 226.316 g/mol
SMILES C1([C@](C(CCC(=O)OC)(C)C)(CC[C@]1(C)[H])[H])=O
SPLASH splash10-00mt-9810000000-2ca6e7c140749d43fda4
Source of Spectrum D1-1995-1251-3
Wiley ID 834605