| SpectraBase Spectrum ID |
BfDCfu8RhBA |
| Name |
Isocitral |
| CAS Registry Number |
72203-97-5 |
| 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 |
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-POHAHGRESA-N |
| Molecular Weight |
152.237 g/mol |
| Nominal Mass |
152 u |
| Number of Peaks |
64 |
| SMILES |
C(\C=C/(CC=O)C)C=C(C)C |
| SPLASH |
splash10-000x-9100000000-4455aae3db01a7158f42 |
| Source |
ex BACKHOUSIA CITRIODORA |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000745 |
