| SpectraBase Spectrum ID |
JEbGHOx91ou |
| Name |
3-Methylbenzoylchloride |
| CAS Registry Number |
1711-06-4 |
| 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 |
154.018542544 u |
| Formula |
C8H7ClO |
| InChI |
InChI=1S/C8H7ClO/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3 |
| InChIKey |
YHOYYHYBFSYOSQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
154.596 g/mol |
| Nominal Mass |
154 u |
| Quality |
999 |
| Retention Index |
1195 |
| SMILES |
C=1(C(Cl)=O)C=C(C=CC1)C |
| SPLASH |
splash10-014i-9600000000-8175442f72f8a5ec832e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoyl chloride,3-methyl
3-Methylbenzoyl chloride |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022452 |
