SpectraBase Spectrum ID |
LYzR4EmwOhY |
Name |
Pentyl benzoate |
CAS Registry Number |
2049-96-9 |
Classification |
Chemical |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
192.115029753 u |
Formula |
C12H16O2 |
InChI |
InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3 |
InChIKey |
QKNZNUNCDJZTCH-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
192.258 g/mol |
Nominal Mass |
192 u |
Quality |
864 |
Retention Index |
1458 |
SMILES |
C=1(C(OCCCCC)=O)C=CC=CC1 |
SPLASH |
splash10-05fr-4900000000-7a48f65373a6b6b7977f |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
Benzoicacid,pentyl ester |
Technique |
GC/MS |
Wiley ID |
DD2024_012575 |