| SpectraBase Spectrum ID |
5HP4gbJea5H |
| Name |
Isocitral |
| CAS Registry Number |
55722-59-3 |
| 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/h5-6,8H,4,7H2,1-3H3/b10-6+ |
| InChIKey |
OJLMARCQPSGYNE-UXBLZVDNSA-N |
| Molecular Weight |
152.237 g/mol |
| Nominal Mass |
152 u |
| Number of Peaks |
71 |
| SMILES |
C(C\C(=C\CC=C(C)C)C)=O |
| SPLASH |
splash10-00l6-9100000000-a900767b67ae9687f82d |
| Source |
ex BACKHOUSIA CITRIODORA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001786 |
