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

*Links on SpectraBase are not permalinks.
7-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 7-(p-tolylsulfonyl)-, dimethyl ester, trans-
SpectraBase Compound ID Ao0QfOstov4
InChI InChI=1S/C17H21NO6S/c1-10-4-6-11(7-5-10)25(21,22)18-12-8-9-13(18)15(17(20)24-3)14(12)16(19)23-2/h4-7,12-15H,8-9H2,1-3H3/t12-,13+,14-,15-/m0/s1
InChIKey AFKYYGSMAPQLRF-XGUBFFRZSA-N
Mol Weight 367.42 g/mol
Molecular Formula C17H21NO6S
Exact Mass 367.108959 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 9Xrdhk2bwcm
Name 7-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 7-(p-tolylsulfonyl)-, dimethyl ester, trans-
CAS Registry Number 17037-57-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO6S
InChI InChI=1S/C17H21NO6S/c1-10-4-6-11(7-5-10)25(21,22)18-12-8-9-13(18)15(17(20)24-3)14(12)16(19)23-2/h4-7,12-15H,8-9H2,1-3H3/t12-,13+,14-,15-/m0/s1
InChIKey AFKYYGSMAPQLRF-XGUBFFRZSA-N
Molecular Weight 367.416 g/mol
SMILES Cc1ccc(cc1)S(N1[C@]2(CC[C@@]1([C@@]([C@]2(C(=O)OC)[H])(C(=O)OC)[H])[H])[H])(=O)=O
SPLASH splash10-00kf-9220000000-9b2b830c2b1ff5f8a21a
Source of Spectrum O7-0-1419-0
Synonyms Dimethyl 7-[(4-methylphenyl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylate 7-(4-Methylphenyl)sulfonyl-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid dimethyl ester 7-Tosyl-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid dimethyl ester Dimethyl 7-(p-tolylsulfonyl)-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylate
Wiley ID 1352459