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

*Links on SpectraBase are not permalinks.
[5-(2-Methylphenyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]acetic acid
SpectraBase Compound ID 6lICzwz2K1a
InChI InChI=1S/C12H14N2O2S2/c1-9-4-2-3-5-10(9)14-7-13(6-11(15)16)8-18-12(14)17/h2-5H,6-8H2,1H3,(H,15,16)
InChIKey LFTVWMNTEVPLFK-UHFFFAOYSA-N
Mol Weight 282.38 g/mol
Molecular Formula C12H14N2O2S2
Exact Mass 282.04967 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 CsHwfF17M0m
Name [5-(2-Methylphenyl)-6-thioxo-1,3,5-thiadiazinan-3-yl]acetic acid
Appearance Colourless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14N2O2S2
InChI InChI=1S/C12H14N2O2S2/c1-9-4-2-3-5-10(9)14-7-13(6-11(15)16)8-18-12(14)17/h2-5H,6-8H2,1H3,(H,15,16)
InChIKey LFTVWMNTEVPLFK-UHFFFAOYSA-N
Instrument Name Jeol Mat 312
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3705
Molecular Weight 282.376 g/mol
SMILES OC(CN1CSC(N(C1)c1c(cccc1)C)=S)=O
SPLASH splash10-01bd-9700000000-d777c7de0095d563e361
Source of Spectrum Y-56-3078-13
Wiley ID 1861114