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

*Links on SpectraBase are not permalinks.
Benzeneacetic acid, .alpha.-(1-oxopropoxy-2-d)-, methyl ester, [R-(R*,S*)]-
SpectraBase Compound ID IV9A0kIQlBy
InChI InChI=1S/C12H14O4/c1-3-10(13)16-11(12(14)15-2)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3/t11-/m1/s1/i3D/t3-,11+/m0
InChIKey UDDJJVIWJLIUAD-AEMLTSCOSA-N
Mol Weight 223.25 g/mol
Molecular Formula C12H132DO4
Exact Mass 223.095486 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 ClU9FGFQVlU
Name Benzeneacetic acid, .alpha.-(1-oxopropoxy-2-d)-, methyl ester, [R-(R*,S*)]-
Alternate Name(s) (2R,2'S)-2-(1-oxopropoxy-2-d)-2-phenylacetic acid , methyl ester
CAS Registry Number 125138-37-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13DO4
InChI InChI=1S/C12H14O4/c1-3-10(13)16-11(12(14)15-2)9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3/t11-/m1/s1/i3D/t3-,11+/m0
InChIKey UDDJJVIWJLIUAD-AEMLTSCOSA-N
Molecular Weight 223.246 g/mol
SMILES [C@](C(=O)OC)(OC(=O)[C@](C)([2D])[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-5900000000-1f2e83332b9d50971727
Source of Spectrum C-113-4620-49
Wiley ID 1222329