SpectraBase Spectrum ID |
6oPeLSnf3xt |
Name |
Prenyl benzoate |
CAS Registry Number |
5205-11-8 |
Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
Exact Mass |
190.099379689 u |
Formula |
C12H14O2 |
GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
InChI |
InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3 |
InChIKey |
INVWRXWYYVMFQC-UHFFFAOYSA-N |
Molecular Weight |
190.242 g/mol |
Nominal Mass |
190 u |
Number of Peaks |
84 |
SMILES |
c1c(cccc1)C(OCC=C(C)C)=O |
SPLASH |
splash10-066r-9400000000-037df80205ab1df5be46 |
Source |
ex BEDOUKIAN CHEM. |
Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
Wiley ID |
RA001153 |