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

*Links on SpectraBase are not permalinks.

Captodiamine

View entire compound with spectra: 4 MS (GC)

Captodiamine
SpectraBase Compound ID GVeKqoFI42e
InChI InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3
InChIKey IZLPZXSZLLELBJ-UHFFFAOYSA-N
Mol Weight 359.59 g/mol
Molecular Formula C21H29NS2
Exact Mass 359.174142 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 CoCCX9uJiw
Name Captodiamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H29NS2
InChI InChI=1S/C21H29NS2/c1-4-5-16-23-20-13-11-19(12-14-20)21(24-17-15-22(2)3)18-9-7-6-8-10-18/h6-14,21H,4-5,15-17H2,1-3H3
InChIKey IZLPZXSZLLELBJ-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 359.590 g/mol
SMILES CCCCSc1ccc(cc1)C(SCCN(C)C)c1ccccc1
SPLASH splash10-0a4i-9110000000-7c9a02bbb407b55a85c2
Source of Spectrum SRH-2022-3080-0
Wiley ID 1825416