| SpectraBase Spectrum ID |
A0weS1L1LJW |
| Name |
Pentylacetylene |
| CAS Registry Number |
628-71-7 |
| 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 |
96.093900386 u |
| Formula |
C7H12 |
| InChI |
InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3 |
| InChIKey |
YVXHZKKCZYLQOP-UHFFFAOYSA-N |
| Molecular Weight |
96.173 g/mol |
| Number of Peaks |
49 |
| RI1 |
722 |
| RI2 |
403 |
| RI3 |
370 |
| RI4 |
343 |
| RI5 |
712 |
| SMILES |
C(CCCC)C#C |
| SPLASH |
splash10-0kuu-9000000000-11f082eaa42a66a4f637 |
| 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 |
1-Heptyne |
| Wiley ID |
LM_FFNSC3_3096 |
