| SpectraBase Spectrum ID |
6GuJPKNf8cv |
| Name |
Methyl-(3E)-hexenoate |
| CAS Registry Number |
13894-61-6 |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
128.083729624 u |
| Formula |
C7H12O2 |
| 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/C7H12O2/c1-3-4-5-6-7(8)9-2/h4-5H,3,6H2,1-2H3/b5-4+ |
| InChIKey |
XEAIHUDTEINXFG-SNAWJCMRSA-N |
| Molecular Weight |
128.171 g/mol |
| Nominal Mass |
128 u |
| Number of Peaks |
56 |
| SMILES |
C(C(OC)=O)\C=C\CC |
| SPLASH |
splash10-01bc-9000000000-0404f5ebc6e173cc3874 |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001865 |
