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

*Links on SpectraBase are not permalinks.
N-tert-Butoxycarbonyl-N'-(2-phenylacetyl)-S-methylisothiourea
SpectraBase Compound ID 9LW9oiahyIC
InChI InChI=1S/C15H20N2O3S/c1-15(2,3)20-14(19)17-13(21-4)16-12(18)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,17,18,19)
InChIKey DEYOHUZEAYAKNY-UHFFFAOYSA-N
Mol Weight 308.4 g/mol
Molecular Formula C15H20N2O3S
Exact Mass 308.119464 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 4Xp7mf6bqq
Name N-tert-Butoxycarbonyl-N'-(2-phenylacetyl)-S-methylisothiourea
Alternate Name(s) (E)-tert-butyl ((methylthio)(2-phenylacetamido)methylene)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20N2O3S
InChI InChI=1S/C15H20N2O3S/c1-15(2,3)20-14(19)17-13(21-4)16-12(18)10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,17,18,19)
InChIKey DEYOHUZEAYAKNY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201100241
Molecular Weight 308.396 g/mol
SMILES N(\C(=N/C(=O)OC(C)(C)C)SC)C(=O)Cc1ccccc1
SPLASH splash10-0bt9-9730000000-001f659a5645ebb3f983
Source of Spectrum CMC-6-1727/SM5-17
Wiley ID 1771771