| SpectraBase Spectrum ID |
1ONN9QmZyZS |
| Name |
Elemicin<6-methoxy-> |
| CAS Registry Number |
15361-99-6 |
| 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 |
238.120509056 u |
| Formula |
C13H18O4 |
| 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/C13H18O4/c1-6-7-9-8-10(14-2)12(16-4)13(17-5)11(9)15-3/h6,8H,1,7H2,2-5H3 |
| InChIKey |
HRAXJWRHSUTMCS-UHFFFAOYSA-N |
| Molecular Weight |
238.283 g/mol |
| Nominal Mass |
238 u |
| Number of Peaks |
180 |
| SMILES |
COc1c(OC)c(OC)c(cc1CC=C)OC |
| SPLASH |
splash10-000i-5940000000-6a0da28f4b57bd144e3b |
| Source |
ex HAPLOSTICHANTHUS JOHNSONII |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000518 |
