| SpectraBase Spectrum ID |
3QqalzCNnPR |
| Name |
(rac)-2-phenyl-3-butyn-2-yl butyrate |
| Appearance |
Yellow oil |
| Carrier Gas |
Helium (1.22 mL/min) |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.115029753 u |
| Formula |
C14H16O2 |
| GC Column |
HP-5MS or RTX-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 260oC |
| InChI |
InChI=1S/C14H16O2/c1-4-9-13(15)16-14(3,5-2)12-10-7-6-8-11-12/h2,6-8,10-11H,4,9H2,1,3H3 |
| InChIKey |
VTSVRUUDGSUKDU-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890B-5977A or Shimadzu GCMS-QP2020 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1016/j.rechem.2023.100966 |
| Molecular Weight |
216.280 g/mol |
| Quality |
943 |
| SMILES |
C1=CC(=CC=C1)C(C#C)(C)OC(CCC)=O |
| SPLASH |
splash10-004i-7900000000-1ee4ba5853e4685472e3 |
| Source of Spectrum |
REC-5-SM4-rac-2b (DOI: 10.1016/j.rechem.2023.100966) |
| Wiley ID |
1911862 |
