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

*Links on SpectraBase are not permalinks.
2-Piperidinecarboxylic acid, 1-[(4-methyl-2-nitrophenyl)sulfonyl]-
SpectraBase Compound ID 9tgNXxdyhGh
InChI InChI=1S/C13H16N2O6S/c1-9-5-6-12(11(8-9)15(18)19)22(20,21)14-7-3-2-4-10(14)13(16)17/h5-6,8,10H,2-4,7H2,1H3,(H,16,17)
InChIKey UDXDSMJGKVNVFQ-UHFFFAOYSA-N
Mol Weight 328.34 g/mol
Molecular Formula C13H16N2O6S
Exact Mass 328.072907 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 7y3febdCr7m
Name 2-Piperidinecarboxylic acid, 1-[(4-methyl-2-nitrophenyl)sulfonyl]-
CAS Registry Number 130178-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O6S
InChI InChI=1S/C13H16N2O6S/c1-9-5-6-12(11(8-9)15(18)19)22(20,21)14-7-3-2-4-10(14)13(16)17/h5-6,8,10H,2-4,7H2,1H3,(H,16,17)
InChIKey UDXDSMJGKVNVFQ-UHFFFAOYSA-N
Molecular Weight 328.339 g/mol
SMILES OC(C1N(S(c2c(N(=O)=O)cc(cc2)C)(=O)=O)CCCC1)=O
SPLASH splash10-0060-0096000000-549f0a184bbedda0aa4f
Source of Spectrum KC-1990-1836-4
Synonyms 1-[(4-methyl-2-nitrophenyl)sulfonyl]-2-piperidinecarboxylic acid N-(4-methyl-2-nitrophenylsulphonyl)piperidine-2-carboxylic acid
Wiley ID 1325906