| SpectraBase Spectrum ID |
B1DFfRrht49 |
| Name |
Methyl isoeugenol |
| CAS Registry Number |
6379-72-2 |
| 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 |
178.099379689 u |
| Formula |
C11H14O2 |
| 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/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3/b5-4+ |
| InChIKey |
NNWHUJCUHAELCL-SNAWJCMRSA-N |
| Molecular Weight |
178.231 g/mol |
| Nominal Mass |
178 u |
| Number of Peaks |
113 |
| SMILES |
COc1c(OC)ccc(c1)\C=C\C |
| SPLASH |
splash10-004i-4900000000-3a2185bd8a1a3ca3fd07 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000947 |
