| SpectraBase Spectrum ID |
2pc8M4XSPA |
| Name |
Hexenal |
| CAS Registry Number |
73545-18-3 |
| 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 |
172.146329882 u |
| Formula |
C10H20O2 |
| 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/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7- |
| InChIKey |
IOBHVJHSBREPFR-FPLPWBNLSA-N |
| Molecular Weight |
172.268 g/mol |
| Nominal Mass |
172 u |
| Number of Peaks |
70 |
| SMILES |
C(OCC)(OCC)C\C=C/CC |
| SPLASH |
splash10-0f92-9300000000-f75487f40aaa3f5c099e |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001715 |
