| SpectraBase Spectrum ID |
LvR9klg3CSb |
| Name |
Heptane |
| CAS Registry Number |
142-82-5 |
| 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 |
36 |
| RI1 |
700 |
| RI2 |
390 |
| SMILES |
CCCCCCC |
| SPLASH |
splash10-0006-9000000000-7979fb0224e7deac4c3c |
| 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 |
Heptane |
| Wiley ID |
LM_FFNSC3_1416 |
