| SpectraBase Spectrum ID |
AYf8aXD6vMQ |
| Name |
Hexanoic acid, 1-phenyl-2-propynyl ester |
| Alternate Name(s) |
1-phenyl-2-propynyl hexanoate
1-Phenylpropargyl hexanoate |
| CAS Registry Number |
56438-72-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18O2 |
| InChI |
InChI=1S/C15H18O2/c1-3-5-7-12-15(16)17-14(4-2)13-10-8-6-9-11-13/h2,6,8-11,14H,3,5,7,12H2,1H3 |
| InChIKey |
VDDCWKXJNAERCW-UHFFFAOYSA-N |
| Molecular Weight |
230.307 g/mol |
| SMILES |
C(#C)C(OC(=O)CCCCC)c1ccccc1 |
| SPLASH |
splash10-03xr-0900000000-e99201e71d1393700559 |
| Source of Spectrum |
C-97-3775-0 |
| Wiley ID |
1232139 |
