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

*Links on SpectraBase are not permalinks.
tert-butyl N-benzyl-N-[(1S)-1-[methoxy(methyl)carbamoyl]-3-methylsulfanyl-propyl]carbamate
SpectraBase Compound ID LriTBNoN0ip
InChI InChI=1S/C19H30N2O4S/c1-19(2,3)25-18(23)21(14-15-10-8-7-9-11-15)16(12-13-26-6)17(22)20(4)24-5/h7-11,16H,12-14H2,1-6H3/t16-/m0/s1
InChIKey NPJNABZVFZRZGN-INIZCTEOSA-N
Mol Weight 382.52 g/mol
Molecular Formula C19H30N2O4S
Exact Mass 382.192629 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 FNEnfJ5jVDo
Name tert-butyl N-benzyl-N-[(1S)-1-[methoxy(methyl)carbamoyl]-3-methylsulfanyl-propyl]carbamate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30N2O4S
InChI InChI=1S/C19H30N2O4S/c1-19(2,3)25-18(23)21(14-15-10-8-7-9-11-15)16(12-13-26-6)17(22)20(4)24-5/h7-11,16H,12-14H2,1-6H3/t16-/m0/s1
InChIKey NPJNABZVFZRZGN-INIZCTEOSA-N
Instrument Name Waters Micromass LCT Premier
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.35
Molecular Weight 382.519 g/mol
Optical Rotation [a]D = -47.6 (c = 1.61, CHCl3
Reported Formula C19H30N2O4S
SMILES C(N(Cc1ccccc1)[C@@](CCSC)(C(N(C)OC)=O)[H])(=O)OC(C)(C)C
SPLASH splash10-0006-9410000000-072545cbc1095174c406
Source of Spectrum BJO-10-SM16-5d
Thin-Layer Chromatography Rf = 0.40 (EtOAc/c-Hex, 1:2)
Wiley ID 1854094