| SpectraBase Spectrum ID |
BTKRyIFTPKg |
| Name |
1,5-Pentanediol, 2-methyl-2-(phenylmethoxy)-, (S)- |
| Alternate Name(s) |
(2S)-2-(benzyloxy)-2-methyl-1,5-pentanediol
(S)-2-(benzyloxy)-2-methylpentane-1,5-diol |
| CAS Registry Number |
128549-26-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-13(11-15,8-5-9-14)16-10-12-6-3-2-4-7-12/h2-4,6-7,14-15H,5,8-11H2,1H3/t13-/m0/s1 |
| InChIKey |
CNFKVIQWZRIIRQ-ZDUSSCGKSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
OC[C@](CCCO)(OCc1ccccc1)C |
| SPLASH |
splash10-0006-9200000000-0df2fb94e5ee9e64fcf0 |
| Source of Spectrum |
J-55-4646-8 |
| Wiley ID |
1225341 |
