| SpectraBase Spectrum ID |
2A7qB8Lt3y7 |
| Name |
Heptan-2-ol |
| CAS Registry Number |
543-49-7 |
| Classification |
Fatty alcohols |
| 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 |
116.120115134 u |
| Formula |
C7H16O |
| InChI |
InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3 |
| InChIKey |
CETWDUZRCINIHU-UHFFFAOYSA-N |
| Molecular Weight |
116.204 g/mol |
| Number of Peaks |
50 |
| RI4 |
913 |
| RI5 |
587 |
| SMILES |
OC(C)CCCCC |
| SPLASH |
splash10-0002-9000000000-4d71aa7da6e7b51dd02d |
| Sample Comments |
RI1: measured on Equity-1 (Alkanes)
RI2: measured on Supelcowax-10 (FAMEs)
RI3: measured on Supelcowax-10 (FAEEs)
RI4: measured on SLB-5ms (Alkanes)
RI5: measured on SLB-5ms (FAMEs) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
2-Heptanol |
| Wiley ID |
LM_LIPIDS2016_338 |
