| SpectraBase Spectrum ID |
GVyDh5Dtmts |
| Name |
Propylparaben |
| CAS Registry Number |
94-13-3 |
| Classification |
Preservative |
| Comments |
Spectrum verified by crosschecking against external libraries (four 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 |
180.078644243 u |
| Formula |
C10H12O3 |
| InChI |
InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 |
| InChIKey |
QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
180.203 g/mol |
| Nominal Mass |
180 u |
| Quality |
991 |
| Retention Index |
1300 |
| SMILES |
OC=1C=CC(C(OCCC)=O)=CC1 |
| SPLASH |
splash10-00dr-2900000000-97b31e16be76c6c20e17 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
p-Hydroxybenzoesaeurepropyl ester
propyl-4-hydroxy benzoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032519 |
