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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)

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SpectraBase Spectrum ID Cu59m9WzaRK
Name Captodiamine
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. 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
SMILES CN(CCSC(c1ccccc1)c1ccc(SCCCC)cc1)C
SPLASH splash10-0a4i-9210000000-befa3775c54b34f12f75
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences