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1,3-Oxathiolane-4-carboxylic acid, 2-(carbamoylimino)-5-(p-methoxyphenyl)-, ethyl ester
SpectraBase Compound ID Db0dIIWIvX7
InChI InChI=1S/C14H16N2O5S/c1-3-20-12(17)11-10(21-14(22-11)16-13(15)18)8-4-6-9(19-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H2,15,18)/b16-14-
InChIKey UCZCOTMMJZGXEK-PEZBUJJGSA-N
Mol Weight 324.35 g/mol
Molecular Formula C14H16N2O5S
Exact Mass 324.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eQgTUN04mN
Name 1,3-Oxathiolane-4-carboxylic acid, 2-(carbamoylimino)-5-(p-methoxyphenyl)-, ethyl ester
Alternate Name(s) Ethyl (2Z)-2-([(Z)-amino(oxo)methyl]imino)-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate (2Z)-2-carbamoylimino-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylic acid ethyl ester Ethyl (2Z)-2-aminocarbonylimino-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate Ethyl (2Z)-2-carbamoylimino-5-(4-methoxyphenyl)-1,3-oxathiolane-4-carboxylate
CAS Registry Number 33242-92-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O5S
InChI InChI=1S/C14H16N2O5S/c1-3-20-12(17)11-10(21-14(22-11)16-13(15)18)8-4-6-9(19-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H2,15,18)/b16-14-
InChIKey UCZCOTMMJZGXEK-PEZBUJJGSA-N
Molecular Weight 324.351 g/mol
SMILES NC(\N=C/1SC(C(OCC)=O)C(O1)c1ccc(OC)cc1)=O
SPLASH splash10-090r-0930000000-fb9074b2161ddeeb0b35
Source of Spectrum AJ-44-1360-5
Wiley ID 1322879