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

*Links on SpectraBase are not permalinks.
4-Pyridinecarboxylic acid, 1,2,3,4-tetrahydro-2-methoxy-3-methylene-1-(phenylsulfonyl)-, ethyl ester, cis-
SpectraBase Compound ID CH0Wz77qH0y
InChI InChI=1S/C16H19NO5S/c1-4-22-16(18)14-10-11-17(15(21-3)12(14)2)23(19,20)13-8-6-5-7-9-13/h5-11,14-15H,2,4H2,1,3H3/t14-,15-/m1/s1
InChIKey ZKACVYWXGVVPMN-HUUCEWRRSA-N
Mol Weight 337.39 g/mol
Molecular Formula C16H19NO5S
Exact Mass 337.098394 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 E2jcr716nyG
Name 4-Pyridinecarboxylic acid, 1,2,3,4-tetrahydro-2-methoxy-3-methylene-1-(phenylsulfonyl)-, ethyl ester, cis-
CAS Registry Number 130146-93-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO5S
InChI InChI=1S/C16H19NO5S/c1-4-22-16(18)14-10-11-17(15(21-3)12(14)2)23(19,20)13-8-6-5-7-9-13/h5-11,14-15H,2,4H2,1,3H3/t14-,15-/m1/s1
InChIKey ZKACVYWXGVVPMN-HUUCEWRRSA-N
Molecular Weight 337.390 g/mol
SMILES c1(S(N2[C@@](C(=C)[C@@](C=C2)(C(=O)OCC)[H])(OC)[H])(=O)=O)ccccc1
SPLASH splash10-06vi-9320000000-99e89dd62820a105ed5c
Source of Spectrum C-113-1728-44
Synonyms (2R(*),4R(*))-4-(ethoxycarbonyl)-3-methylidene-2-methoxy-1-(phenylsulfonyl)-1,2,3,4-tetrahydropyridine Ethyl (2R,4R)-2-methoxy-3-methylene-1-(phenylsulfonyl)-1,2,3,4-tetrahydro-4-pyridinecarboxylate
Wiley ID 1332982