| SpectraBase Spectrum ID |
6Buy4O8jFPx |
| Name |
Methyl benzyl butyrate |
| CAS Registry Number |
3460-44-4 |
| 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 |
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/c1-3-7-12(13)14-10(2)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3 |
| InChIKey |
GGKADXREVJTZMF-UHFFFAOYSA-N |
| Molecular Weight |
192.258 g/mol |
| Nominal Mass |
192 u |
| Number of Peaks |
71 |
| SMILES |
c1c(cccc1)C(OC(CCC)=O)C |
| SPLASH |
splash10-0pdi-6900000000-83f9a7d4572b5c471b8c |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000930 |
