| SpectraBase Spectrum ID |
LFc8yi2PmyI |
| Name |
Isocitral |
| CAS Registry Number |
55050-40-3 |
| 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 |
152.120115134 u |
| Formula |
C10H16O |
| 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/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,8H,3-4,6-7H2,1-2H3 |
| InChIKey |
ODULZPPCXSTHDT-UHFFFAOYSA-N |
| Molecular Weight |
152.237 g/mol |
| Nominal Mass |
152 u |
| Number of Peaks |
35 |
| SMILES |
C(CC(CCC=C(C)C)=C)=O |
| SPLASH |
splash10-00kf-9000000000-f6e24255a9a5878cd85a |
| Source |
ex BACKHOUSIA CITRIODORA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001787 |
