| SpectraBase Spectrum ID |
3V2RIwm2kq |
| Name |
Isomyristicin |
| CAS Registry Number |
18312-21-5 |
| 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 |
192.078644243 u |
| Formula |
C11H12O3 |
| 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/C11H12O3/c1-3-4-8-5-9(12-2)11-10(6-8)13-7-14-11/h3-6H,7H2,1-2H3/b4-3+ |
| InChIKey |
DHUZAAUGHUHIDS-ONEGZZNKSA-N |
| Molecular Weight |
192.214 g/mol |
| Nominal Mass |
192 u |
| Number of Peaks |
35 |
| SMILES |
COc1cc(cc2c1OCO2)\C=C\C |
| SPLASH |
splash10-0006-9800000000-6695aad33e56f3a1919e |
| Source |
ex KARL-HEINZ KUBECZKA (synthetic) |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000768 |
