| SpectraBase Spectrum ID |
2oWNm0x6bA |
| Name |
Benzalkonium chloride-2 -CH3Cl |
| Classification |
Antiseptic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
317.308250260 u |
| Formula |
C22H39N |
| InChI |
InChI=1S/C22H39N/c1-3-4-5-6-7-8-9-10-11-12-13-17-20-23(2)21-22-18-15-14-16-19-22/h14-16,18-19H,3-13,17,20-21H2,1-2H3 |
| InChIKey |
LMODWEIPOHHCCQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.561 g/mol |
| SMILES |
c1(ccccc1)CN(C)CCCCCCCCCCCCCC |
| SPLASH |
splash10-001i-5910000000-09cffd116efa5b7170ac |
| 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-2 -CH3Cl |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_1060 |
