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(5-Mesityl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetic acid
SpectraBase Compound ID CL5VjYQ02rF
InChI InChI=1S/C14H18N2O2S2/c1-9-4-10(2)13(11(3)5-9)16-7-15(6-12(17)18)8-20-14(16)19/h4-5H,6-8H2,1-3H3,(H,17,18)
InChIKey WTDJWUHOKAGLNS-UHFFFAOYSA-N
Mol Weight 310.43 g/mol
Molecular Formula C14H18N2O2S2
Exact Mass 310.08097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9cngjjVCcvp
Name (5-Mesityl-6-thioxo-1,3,5-thiadiazinan-3-yl)acetic acid
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2O2S2
InChI InChI=1S/C14H18N2O2S2/c1-9-4-10(2)13(11(3)5-9)16-7-15(6-12(17)18)8-20-14(16)19/h4-5H,6-8H2,1-3H3,(H,17,18)
InChIKey WTDJWUHOKAGLNS-UHFFFAOYSA-N
Instrument Name Jeol Mat 312
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3705
Molecular Weight 310.430 g/mol
SMILES OC(CN1CSC(N(C1)c1c(cc(cc1C)C)C)=S)=O
SPLASH splash10-004i-1900000000-febd63e8d027e6b909d1
Source of Spectrum Y-56-3079-15
Wiley ID 1861116