| SpectraBase Spectrum ID |
1kQi1UN3kXM |
| Name |
(4,4-Dimethylpent-1-yn-1-yl)benzene |
| Appearance |
Colorless liquid |
| Carrier Gas |
Helium |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
172.125200515 u |
| Formula |
C13H16 |
| GC Oven Program |
Oven temp 280oC |
| InChI |
InChI=1S/C13H16/c1-13(2,3)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,11H2,1-3H3 |
| InChIKey |
GMSROCUNXGCKOQ-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GCMS-QP2010 |
| Ionization Type |
EI Positive ion |
| Literature Reference DOI |
10.1002/anie.201706781 |
| Molecular Weight |
172.271 g/mol |
| Quality |
216 |
| SMILES |
C(C#CC1=CC=CC=C1)C(C)(C)C |
| SPLASH |
splash10-0aor-8900000000-f6592b3293b499dae32f |
| Source of Spectrum |
ACI-56-SM32-3p (DOI: 10.1002/anie.201706781) |
| Wiley ID |
1896365 |
