| SpectraBase Spectrum ID |
42TP7KtkuZE |
| Name |
Heptan-3-ol |
| Source of Sample |
SAFC Cat.no. W354708 |
| CAS Registry Number |
589-82-2 |
| 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 |
116.120115134 u |
| Formula |
C7H16O |
| InChI |
InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3 |
| InChIKey |
RZKSECIXORKHQS-UHFFFAOYSA-N |
| Molecular Weight |
116.204 g/mol |
| Number of Peaks |
50 |
| RI1 |
901 |
| RI2 |
568 |
| RI3 |
706 |
| RI4 |
660 |
| SMILES |
OC(CC)CCCC |
| SPLASH |
splash10-0aou-9000000000-137b5a648925cbfcfd54 |
| 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 |
3-Heptanol |
| Wiley ID |
LM_FFNSC3_221 |
