| SpectraBase Spectrum ID |
LDG0YexgJOV |
| Name |
Isosafrole |
| CAS Registry Number |
17627-76-8 |
| 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 |
162.068079560 u |
| Formula |
C10H10O2 |
| 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/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2-6H,7H2,1H3/b3-2- |
| InChIKey |
VHVOLFRBFDOUSH-IHWYPQMZSA-N |
| Molecular Weight |
162.188 g/mol |
| Nominal Mass |
162 u |
| Number of Peaks |
101 |
| SMILES |
c1c2c(ccc1\C=C/C)OCO2 |
| SPLASH |
splash10-0ik9-4900000000-f014d07618a0f542880d |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000789 |
