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

*Links on SpectraBase are not permalinks.
N-benzoyl-3-nitroaspartic acid dimethyl ester
SpectraBase Compound ID 8K6NL3vofoB
InChI InChI=1S/C13H14N2O7/c1-21-12(17)9(10(15(19)20)13(18)22-2)14-11(16)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3,(H,14,16)/t9-,10?/m0/s1
InChIKey YGUOVDHOIGDCPU-RGURZIINSA-N
Mol Weight 310.26 g/mol
Molecular Formula C13H14N2O7
Exact Mass 310.080101 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 I2xPJZIOmGv
Name N-benzoyl-3-nitroaspartic acid dimethyl ester
CAS Registry Number 121137-23-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O7
InChI InChI=1S/C13H14N2O7/c1-21-12(17)9(10(15(19)20)13(18)22-2)14-11(16)8-6-4-3-5-7-8/h3-7,9-10H,1-2H3,(H,14,16)/t9-,10?/m0/s1
InChIKey YGUOVDHOIGDCPU-RGURZIINSA-N
Molecular Weight 310.262 g/mol
SMILES N([C@@](C(N(=O)=O)C(=O)OC)(C(=O)OC)[H])C(=O)c1ccccc1
SPLASH splash10-0a4i-2940000000-f31bcff5730e818495fd
Source of Spectrum B-41-1068-4
Synonyms Dimethyl (2S)-2-(benzoylamino)-3-nitrobutanedioate
Wiley ID 1311126