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

*Links on SpectraBase are not permalinks.
Diethyl (S)-(2-Methylbutyl)malonate
SpectraBase Compound ID 54dc0a4s2cW
InChI InChI=1S/C12H22O4/c1-5-9(4)8-10(11(13)15-6-2)12(14)16-7-3/h9-10H,5-8H2,1-4H3/t9-/m0/s1
InChIKey LACBGBCMVQFTSM-VIFPVBQESA-N
Mol Weight 230.3 g/mol
Molecular Formula C12H22O4
Exact Mass 230.151809 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 BOn1kHISzpP
Name Diethyl (S)-(2-Methylbutyl)malonate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O4
GC Oven Program Split/Splitless injector
InChI InChI=1S/C12H22O4/c1-5-9(4)8-10(11(13)15-6-2)12(14)16-7-3/h9-10H,5-8H2,1-4H3/t9-/m0/s1
InChIKey LACBGBCMVQFTSM-VIFPVBQESA-N
Instrument Name Hewlett-Packard 6890-5973
Ionization Type EI
Literature Reference DOI 10.1021/np030321z
Molecular Weight 230.304 g/mol
Optical Rotation [a]D25 = +11 (c = 3.83, diethyl ether)
SMILES C(C(C[C@](CC)(C)[H])C(=O)OCC)(=O)OCC
SPLASH splash10-03k9-4900000000-12ec5668921af5b1f250
Source of Spectrum G4-67-399-S-9
Wiley ID 1881683