| SpectraBase Spectrum ID |
C1rcA4672Gv |
| Name |
Benzalkonium chloride-1 -CH3Cl |
| Classification |
Antiseptic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
289.276950131 u |
| Formula |
C20H35N |
| InChI |
InChI=1S/C20H35N/c1-3-4-5-6-7-8-9-10-11-15-18-21(2)19-20-16-13-12-14-17-20/h12-14,16-17H,3-11,15,18-19H2,1-2H3 |
| InChIKey |
MBWNCDJKIRGSFV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
289.507 g/mol |
| SMILES |
c1(ccccc1)CN(C)CCCCCCCCCCCC |
| SPLASH |
splash10-001l-5900000000-579a91eed4ddc9c9b1b0 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G P U |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Benzalkonium chloride compound-1 -CH3Cl |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1059 |
