| SpectraBase Spectrum ID |
5EpLLdgAxI9 |
| Name |
Heptane |
| Source of Sample |
Sigma-Aldrich Cat. #49452-U |
| CAS Registry Number |
142-82-5 |
| Classification |
Alkanes |
| 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 |
100.125200515 u |
| Formula |
C7H16 |
| InChI |
InChI=1S/C7H16/c1-3-5-7-6-4-2/h3-7H2,1-2H3 |
| InChIKey |
IMNFDUFMRHMDMM-UHFFFAOYSA-N |
| Molecular Weight |
100.205 g/mol |
| Number of Peaks |
44 |
| RI1 |
700 |
| RI2 |
700 |
| SMILES |
CCCCCCC |
| SPLASH |
splash10-052f-9000000000-0cd1cb9152f6dd32777e |
| Sample Comments |
RI1: measured on SLB-5ms (Alkanes)
RI2: measured on Equity-1 (Alkanes) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Heptane |
| Wiley ID |
LM_PEST_923 |
