SpectraBase Spectrum ID |
8HVLqpJEw52 |
Name |
1-(4-Propylphenyl)propanone |
Classification |
Pharmaceutical drug precursor |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
176.120115134 u |
Formula |
C12H16O |
InChI |
InChI=1S/C12H16O/c1-3-5-10-6-8-11(9-7-10)12(13)4-2/h6-9H,3-5H2,1-2H3 |
InChIKey |
FDSYYILHBJMPTN-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
176.259 g/mol |
Nominal Mass |
176 u |
Quality |
855 |
Retention Index |
1469 |
SMILES |
C=1(C(CC)=O)C=CC(=CC1)CCC |
SPLASH |
splash10-0005-8900000000-0ede5b71c72f9b85e76d |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
1-(4-Propylphenyl)propan-1-one |
Technique |
GC/MS |
Wiley ID |
DD2024_003780 |