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

*Links on SpectraBase are not permalinks.
1,2,4-Triazaspiro[4.5]dec-3-ene-1,2-dicarboxylic acid, 3-[(phenylmethyl)thio]-, diethyl ester
SpectraBase Compound ID IsCV0MzHAON
InChI InChI=1S/C20H27N3O4S/c1-3-26-18(24)22-17(28-15-16-11-7-5-8-12-16)21-20(13-9-6-10-14-20)23(22)19(25)27-4-2/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3
InChIKey HRXKRNSUIDUMKG-UHFFFAOYSA-N
Mol Weight 405.51 g/mol
Molecular Formula C20H27N3O4S
Exact Mass 405.172228 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 7VeaI2bGlW
Name 1,2,4-Triazaspiro[4.5]dec-3-ene-1,2-dicarboxylic acid, 3-[(phenylmethyl)thio]-, diethyl ester
CAS Registry Number 94815-27-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27N3O4S
InChI InChI=1S/C20H27N3O4S/c1-3-26-18(24)22-17(28-15-16-11-7-5-8-12-16)21-20(13-9-6-10-14-20)23(22)19(25)27-4-2/h5,7-8,11-12H,3-4,6,9-10,13-15H2,1-2H3
InChIKey HRXKRNSUIDUMKG-UHFFFAOYSA-N
Molecular Weight 405.513 g/mol
SMILES C12(N(N(C(=N2)SCc2ccccc2)C(=O)OCC)C(=O)OCC)CCCCC1
SPLASH splash10-0006-9010000000-5e13dcfca26385def723
Source of Spectrum H-71-1187-11
Synonyms Diethyl 3-(benzylsulfanyl)-1,2,4-triazaspiro[4.5]dec-3-ene-1,2-dicarboxylate Diethyl 5'-(benzylthio)spiro[cyclohexane-1,3'-[2,3]dihydro-{1h}-1',2',4'-triazole]-1',2'-dicarboxylate
Wiley ID 1371705