| SpectraBase Spectrum ID |
5AHqVpch72 |
| Name |
Hexenal<3E-> |
| CAS Registry Number |
69112-21-6 |
| 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 |
98.073164941 u |
| Formula |
C6H10O |
| 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/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3/b4-3+ |
| InChIKey |
GXANMBISFKBPEX-ONEGZZNKSA-N |
| Molecular Weight |
98.145 g/mol |
| Nominal Mass |
98 u |
| Number of Peaks |
46 |
| SMILES |
C(\C=C\CC=O)C |
| SPLASH |
splash10-0006-9000000000-fa288b0328c25591c63e |
| Source |
ex BEDOUKIAN ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000658 |
