| SpectraBase Spectrum ID |
2op4USFy1rM |
| Name |
4-(4-Methoxyphenyl)-2-butanone |
| CAS Registry Number |
104-20-1 |
| 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h5-8H,3-4H2,1-2H3 |
| InChIKey |
PCBSXBYCASFXTM-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Quality |
986 |
| Retention Index |
1283 |
| SMILES |
C1(=CC=C(C=C1)OC)CCC(=O)C |
| SPLASH |
splash10-00di-3900000000-6f28d5ce772ec89c19a9 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(4-methoxyphenyl)butan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032471 |
