| SpectraBase Spectrum ID |
Lmej3sn3VN0 |
| Name |
Hexane <3-methyl-> |
| CAS Registry Number |
589-34-4 |
| 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 |
100.125200515 u |
| Formula |
C7H16 |
| InChI |
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 |
| InChIKey |
VLJXXKKOSFGPHI-UHFFFAOYSA-N |
| Molecular Weight |
100.205 g/mol |
| Number of Peaks |
29 |
| RI1 |
685 |
| SMILES |
CCC(CCC)C |
| SPLASH |
splash10-006x-9000000000-3e1c0b706cdb49e3f086 |
| 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 |
Hexane, 3-methyl- |
| Wiley ID |
LM_FFNSC3_1489 |
