| SpectraBase Spectrum ID |
DyzD7kY5gsd |
| Name |
Heptadienol<2E,4E-> |
| CAS Registry Number |
33467-79-7 |
| 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 |
112.088815005 u |
| Formula |
C7H12O |
| 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/C7H12O/c1-2-3-4-5-6-7-8/h3-6,8H,2,7H2,1H3/b4-3+,6-5+ |
| InChIKey |
MDRZSADXFOPYOC-VNKDHWASSA-N |
| Molecular Weight |
112.172 g/mol |
| Nominal Mass |
112 u |
| Number of Peaks |
64 |
| SMILES |
OC\C=C\C=C\CC |
| SPLASH |
splash10-0apl-9000000000-e9eca9a6dba3c50a1781 |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001667 |
