SpectraBase Spectrum ID |
GUDglq1zyqG |
Name |
Propylparaben |
CAS Registry Number |
94-13-3 |
Classification |
Preservative |
Comments |
Spectrum verified by crosschecking against external libraries (three 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 |
983 |
Retention Index |
1300 |
SMILES |
OC=1C=CC(C(OCCC)=O)=CC1 |
SPLASH |
splash10-00dr-3900000000-f7a26fd6b78df5eec0bb |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
p-Hydroxybenzoesaeurepropyl ester
propyl-4-hydroxy benzoate |
Technique |
GC/MS |
Wiley ID |
DD2024_003777 |