| SpectraBase Spectrum ID |
90bzR8XiSY1 |
| Name |
hept-cis-4-enal |
| 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 |
| InChI |
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h3-4,7H,2,5-6H2,1H3/b4-3- |
| InChIKey |
VVGOCOMZRGWHPI-ARJAWSKDSA-N |
| Instrument Name |
AEI MS-902 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jsfa.2740251208 |
| Molecular Weight |
112.172 g/mol |
| Number of Peaks |
8 |
| SMILES |
C(CC\C=C/CC)=O |
| SPLASH |
splash10-066u-9000000000-0fcf6c91ca623f9a4fc8 |
| Sample Description |
Natural source |
| Source of Spectrum |
SFA-25-1485-Table 1-1 (DOI: 10.1002/jsfa.2740251208) |
| Wiley ID |
1856593 |
