| SpectraBase Spectrum ID |
AR6nrLT8eJn |
| Name |
Hept-2-en-4-one <5-methyl-> |
| Source of Sample |
SAFC Cat.no. W376108 |
| CAS Registry Number |
81925-81-7 |
| 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 |
126.104465070 u |
| Formula |
C8H14O |
| InChI |
InChI=1S/C8H14O/c1-4-6-8(9)7(3)5-2/h4,6-7H,5H2,1-3H3/b6-4+ |
| InChIKey |
ARJWAURHQDJJAC-GQCTYLIASA-N |
| Molecular Weight |
126.199 g/mol |
| Number of Peaks |
50 |
| RI1 |
967 |
| RI2 |
641 |
| RI3 |
694 |
| RI4 |
948 |
| RI5 |
839 |
| SMILES |
CCC(C(\C=C\C)=O)C |
| SPLASH |
splash10-014i-9000000000-3136cd144bad67ab5643 |
| 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 |
2-Hepten-4-one, 5-methyl- |
| Wiley ID |
LM_FFNSC3_744 |
