| SpectraBase Spectrum ID |
7iptRXVE1xa |
| Name |
Hepta-1,3,5-triyne<1-phenyl-> |
| CAS Registry Number |
4300-27-0 |
| 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 |
164.062600258 u |
| Formula |
C13H8 |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C13H8/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,1H3 |
| InChIKey |
ACKWHAMNCLDPRO-UHFFFAOYSA-N |
| Molecular Weight |
164.207 g/mol |
| Nominal Mass |
164 u |
| Number of Peaks |
118 |
| SMILES |
c1(ccccc1)C#CC#CC#CC |
| SPLASH |
splash10-03dr-3900000000-d0499bd13ad7e672fbeb |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000645 |
