| SpectraBase Spectrum ID |
2litJStXYYK |
| Name |
1-(4-tert-Butylphenyl)propan-2-one |
| CAS Registry Number |
81561-77-5 |
| 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 |
190.135765199 u |
| Formula |
C13H18O |
| InChI |
InChI=1S/C13H18O/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4/h5-8H,9H2,1-4H3 |
| InChIKey |
HSNJERRVXUNQLS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
190.286 g/mol |
| Nominal Mass |
190 u |
| Quality |
992 |
| Retention Index |
1382 |
| SMILES |
C=1(C(C)(C)C)C=CC(=CC1)CC(=O)C |
| SPLASH |
splash10-0005-2900000000-4f523254c393a06d1918 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-tert-butylphenyl)propan-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_019260 |
