| SpectraBase Spectrum ID |
4A1QXyEDVQ |
| Name |
Benzoin |
| CAS Registry Number |
579-44-2 |
| 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 |
212.083729624 u |
| Formula |
C14H12O2 |
| 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/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H |
| InChIKey |
ISAOCJYIOMOJEB-UHFFFAOYSA-N |
| Molecular Weight |
212.248 g/mol |
| Nominal Mass |
212 u |
| Number of Peaks |
42 |
| SMILES |
OC(c1ccccc1)C(=O)c1ccccc1 |
| SPLASH |
splash10-0a6r-9700000000-d390f41bca568afbf622 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000147 |
