| SpectraBase Spectrum ID |
2ljWxrzvP1s |
| Name |
Crotamiton |
| CAS Registry Number |
483-63-6 |
| Classification |
Acaricide |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
203.131014170 u |
| Formula |
C13H17NO |
| InChI |
InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-10H,5H2,1-3H3/b8-4+ |
| InChIKey |
DNTGGZPQPQTDQF-XBXARRHUSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
203.285 g/mol |
| Nominal Mass |
203 u |
| Quality |
873 |
| Retention Index |
1542 |
| SMILES |
C=1(N(C(\C=C\C)=O)CC)C(=CC=CC1)C |
| SPLASH |
splash10-014r-6910000000-eb79afa286bfb7bbb770 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(E)-N-Ethyl-N-(2-methylphenyl)but-2-enamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007842 |
