| SpectraBase Spectrum ID |
4AmZX3rnXM |
| Name |
Raspberry ketone |
| CAS Registry Number |
5471-51-2 |
| 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 |
164.083729624 u |
| Formula |
C10H12O2 |
| 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/C10H12O2/c1-8(11)2-3-9-4-6-10(12)7-5-9/h4-7,12H,2-3H2,1H3 |
| InChIKey |
NJGBTKGETPDVIK-UHFFFAOYSA-N |
| Molecular Weight |
164.204 g/mol |
| Nominal Mass |
164 u |
| Number of Peaks |
31 |
| SMILES |
Oc1ccc(CCC(C)=O)cc1 |
| SPLASH |
splash10-0a4l-9800000000-84cf95de2dd66a45114a |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001188 |
