| SpectraBase Spectrum ID |
3AzoNbr1we |
| Name |
Isoamyl benzoate |
| CAS Registry Number |
94-46-2 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
192.115029753 u |
| Formula |
C12H16O2 |
| 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/C12H16O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey |
MLLAPOCBLWUFAP-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Number of Peaks |
35 |
| SMILES |
c1cc(C(OCCC(C)C)=O)ccc1 |
| SPLASH |
splash10-0adi-9400000000-9e9a51d07e945fae958b |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000721 |
