| SpectraBase Spectrum ID |
GUszGqkg5p2 |
| Name |
4-Methylbenzylamine HFB |
| CAS Registry Number |
541535-78-8 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
317.065061086 u |
| Formula |
C12H10F7NO |
| InChI |
InChI=1S/C12H10F7NO/c1-7-2-4-8(5-3-7)6-20-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3,(H,20,21) |
| InChIKey |
AEVRSDTWLLEJFQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
317.207 g/mol |
| Nominal Mass |
317 u |
| Quality |
996 |
| Retention Index |
1338 |
| SMILES |
C(C(C(NCC1=CC=C(C=C1)C)=O)(F)F)(C(F)(F)F)(F)F |
| SPLASH |
splash10-0ldi-5905000000-742970ee99e6dee24e19 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Methylbenzylamine,N-heptafluorobutyryl-
N-(4-Methylbenzyl)heptafluorobutyramide
N-(4-Methylbenzyl)-2,2,3,3,4,4,4-heptafluorobutanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019353 |
