| SpectraBase Spectrum ID |
JrjSAkU9EzO |
| Name |
2-Propyn-1-ol, benzoate (D1) |
| Alternate Name(s) |
2-Propynyl benzoate (D1)
Prop-2-ynyl benzoate (D1)
Benzoic acid prop-2-ynyl ester (D1)
Benzoic acid propargyl ester (D1)
Propargyl benzoate (D1) |
| CAS Registry Number |
6750-04-5 |
| Comments |
Note: The molecular formula of the structure shown is C10H8O2 - which differs from the formula reported for the mass spectrum (C10H7DO2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H7DO2 |
| InChI |
InChI=1S/C10H8O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h1,3-7H,8H2 |
| InChIKey |
NBDHEMWCIUHARG-UHFFFAOYSA-N |
| Molecular Weight |
160.172 g/mol |
| SMILES |
c1(ccccc1)C(=O)OCC#C |
| SPLASH |
splash10-0a4i-7900000000-b4385aaf827d06b7afcc |
| Wiley ID |
1488755 |
