| SpectraBase Spectrum ID |
2pB0yldJkYK |
| Name |
1-(3-Methylphenyl)ethanone |
| CAS Registry Number |
585-74-0 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
134.073164941 u |
| Formula |
C9H10O |
| InChI |
InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3 |
| InChIKey |
FSPSELPMWGWDRY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
134.178 g/mol |
| Nominal Mass |
134 u |
| Quality |
990 |
| Retention Index |
982 |
| SMILES |
C1(C(=O)C)=CC(=CC=C1)C |
| SPLASH |
splash10-014l-9600000000-3e4d258b33acebe2db40 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_017239 |
