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

*Links on SpectraBase are not permalinks.
[3-(8-Benzyl-8H-1-thia-8-aza-dibenzo[e,h]azulen-2-ylmethoxy)-propyl]dimethylamine
SpectraBase Compound ID BzFXWc4sifs
InChI InChI=1S/C29H30N2OS/c1-30(2)17-10-18-32-21-23-19-26-24-13-6-8-15-27(24)31(20-22-11-4-3-5-12-22)28-16-9-7-14-25(28)29(26)33-23/h3-9,11-16,19H,10,17-18,20-21H2,1-2H3
InChIKey KERCPURERWKQHK-UHFFFAOYSA-N
Mol Weight 454.63 g/mol
Molecular Formula C29H30N2OS
Exact Mass 454.207885 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 GmaaakRbECe
Name [3-(8-Benzyl-8H-1-thia-8-aza-dibenzo[e,h]azulen-2-ylmethoxy)-propyl]dimethylamine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H30N2OS
InChI InChI=1S/C29H30N2OS/c1-30(2)17-10-18-32-21-23-19-26-24-13-6-8-15-27(24)31(20-22-11-4-3-5-12-22)28-16-9-7-14-25(28)29(26)33-23/h3-9,11-16,19H,10,17-18,20-21H2,1-2H3
InChIKey KERCPURERWKQHK-UHFFFAOYSA-N
Molecular Weight 454.632 g/mol
SMILES c-12c(-c3c(cccc3)N(c3c1cccc3)Cc1ccccc1)cc(s2)COCCCN(C)C
SPLASH splash10-0zfr-0009400000-5d3b53af64700ebe41c1
Source of Spectrum Y-48-861-9a
Wiley ID 1704608