| SpectraBase Spectrum ID |
17rn9upqaxt |
| Name |
Cresol octanoate |
| CAS Registry Number |
59558-23-5 |
| 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 |
234.161979946 u |
| Formula |
C15H22O2 |
| 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/C15H22O2/c1-3-4-5-6-7-8-15(16)17-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3 |
| InChIKey |
ALRYNTSLFYRKGF-UHFFFAOYSA-N |
| Molecular Weight |
234.339 g/mol |
| Nominal Mass |
234 u |
| Number of Peaks |
86 |
| SMILES |
c1c(ccc(c1)C)OC(=O)CCCCCCC |
| SPLASH |
splash10-0a4i-6900000000-6cdc1eb4ae352131a29e |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000380 |
