SpectraBase Spectrum ID |
GXtFHOhfYx6 |
Name |
Aceticacid,cinnamyl ester |
CAS Registry Number |
103-54-8 |
Classification |
Chemical |
Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
176.083729624 u |
Formula |
C11H12O2 |
InChI |
InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3 |
InChIKey |
WJSDHUCWMSHDCR-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
176.215 g/mol |
Nominal Mass |
176 u |
Quality |
921 |
Retention Index |
1279 |
SMILES |
C=1(C=CCOC(=O)C)C=CC=CC1 |
SPLASH |
splash10-014l-5900000000-caf5087a63a0a6a9515e |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
3-Phenylprop-2-en-1-yl acetate |
Technique |
GC/MS |
Wiley ID |
DD2024_025415 |