| SpectraBase Spectrum ID |
1pKhsDrnzWg |
| Name |
Hept-(4Z)-enal |
| Source of Sample |
SAFC Cat.no. W328901 |
| CAS Registry Number |
6728-31-0 |
| 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 |
| Molecular Weight |
112.172 g/mol |
| Number of Peaks |
50 |
| RI1 |
902 |
| RI2 |
570 |
| RI3 |
645 |
| RI4 |
603 |
| SMILES |
C(CC\C=C/CC)=O |
| SPLASH |
splash10-05nf-9000000000-02641faad71ce55a1e99 |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
4-Heptenal, (4Z)- |
| Wiley ID |
LM_FFNSC3_342 |
