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

*Links on SpectraBase are not permalinks.
Benzene, 5-(2-isothiocyanatoethyl)-1,2,3-trimethoxy-
SpectraBase Compound ID 90lDLri43Ct
InChI InChI=1S/C12H15NO3S/c1-14-10-6-9(4-5-13-8-17)7-11(15-2)12(10)16-3/h6-7H,4-5H2,1-3H3
InChIKey RZLAHZWXEAROQW-UHFFFAOYSA-N
Mol Weight 253.32 g/mol
Molecular Formula C12H15NO3S
Exact Mass 253.077265 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 HtNoDHptjDv
Name Benzene, 5-(2-isothiocyanatoethyl)-1,2,3-trimethoxy-
CAS Registry Number 35424-93-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO3S
InChI InChI=1S/C12H15NO3S/c1-14-10-6-9(4-5-13-8-17)7-11(15-2)12(10)16-3/h6-7H,4-5H2,1-3H3
InChIKey RZLAHZWXEAROQW-UHFFFAOYSA-N
Molecular Weight 253.316 g/mol
SMILES COc1cc(cc(c1OC)OC)CCN=C=S
SPLASH splash10-001i-0940000000-c703a776f45675706e0e
Source of Spectrum RP-0-52-5
Synonyms 5-(2-Isothiocyanatoethyl)-1,2,3-trimethoxybenzene .beta.-(3,4,5-Trimethoxyphenyl)ethylisothiocyanate
Wiley ID 1256619