| SpectraBase Spectrum ID |
Iol7nPLZpc1 |
| Name |
1,2-Hexanediol, 2-benzoate |
| Alternate Name(s) |
1,2-Hexanediol 2-O-benzoyl ester
1-(hydroxymethyl)pentyl benzoate |
| CAS Registry Number |
128733-29-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H18O3 |
| InChI |
InChI=1S/C13H18O3/c1-2-3-9-12(10-14)16-13(15)11-7-5-4-6-8-11/h4-8,12,14H,2-3,9-10H2,1H3 |
| InChIKey |
WUOZIRLXPCZXFX-UHFFFAOYSA-N |
| Molecular Weight |
222.284 g/mol |
| SMILES |
OCC(OC(=O)c1ccccc1)CCCC |
| SPLASH |
splash10-0a4r-1900000000-e2d8465a8caa16f85d63 |
| Source of Spectrum |
J-55-5136-0 |
| Wiley ID |
1222644 |
