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N-tert-Butoxycarbonyl-N'-(2-phenoxyacetyl)-S-methylisothiourea
SpectraBase Compound ID KOWQXTa9A9Q
InChI InChI=1S/C15H20N2O4S/c1-15(2,3)21-14(19)17-13(22-4)16-12(18)10-20-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,17,18,19)
InChIKey SPRQCHJOZNKISK-UHFFFAOYSA-N
Mol Weight 324.4 g/mol
Molecular Formula C15H20N2O4S
Exact Mass 324.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 305muJQa5df
Name N-tert-Butoxycarbonyl-N'-(2-phenoxyacetyl)-S-methylisothiourea
Alternate Name(s) (E)-tert-butyl ((methylthio)(2-phenoxyacetamido)methylene)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20N2O4S
InChI InChI=1S/C15H20N2O4S/c1-15(2,3)21-14(19)17-13(22-4)16-12(18)10-20-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,17,18,19)
InChIKey SPRQCHJOZNKISK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201100241
Molecular Weight 324.395 g/mol
SMILES N(\C(=N/C(=O)OC(C)(C)C)SC)C(=O)COc1ccccc1
SPLASH splash10-0bt9-9600000000-cd72eb0ab46dd1ba38e3
Source of Spectrum CMC-6-1727/SM6-18
Wiley ID 1771772