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

*Links on SpectraBase are not permalinks.
(4aR,8aR)-4-[(1S)-1-Phenylethyl]octahydro-2H-1,4-benzothiazine
SpectraBase Compound ID FpAeHR0zhnQ
InChI InChI=1S/C16H23NS/c1-13(14-7-3-2-4-8-14)17-11-12-18-16-10-6-5-9-15(16)17/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16+/m0/s1
InChIKey NVZIJBHDNBOHMD-NUEKZKHPSA-N
Mol Weight 261.43 g/mol
Molecular Formula C16H23NS
Exact Mass 261.155121 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 K1XkYsPmoEz
Name (4aR,8aR)-4-[(1S)-1-Phenylethyl]octahydro-2H-1,4-benzothiazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23NS
InChI InChI=1S/C16H23NS/c1-13(14-7-3-2-4-8-14)17-11-12-18-16-10-6-5-9-15(16)17/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3/t13-,15+,16+/m0/s1
InChIKey NVZIJBHDNBOHMD-NUEKZKHPSA-N
Literature Reference DOI 10.1002/asia.200800174
Molecular Weight 261.427 g/mol
SMILES [C@]12(SCCN([C@@]2(CCCC1)[H])[C@](c1ccccc1)(C)[H])[H]
SPLASH splash10-06si-7690000000-f07d71bf1ed95acbb867
Source of Spectrum CAJ-3-1657/SM14-2c
Synonyms (4aR,8aR)-4-((S)-1-phenylethyl)octahydro-2H-benzo[b][1,4]thiazine
Wiley ID 1775103