| SpectraBase Spectrum ID |
IzrEQeAqaIp |
| Name |
1,4-Butanediol, 1-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)-, (R*,S*)-(.+-.)- |
| Alternate Name(s) |
(1R,2S)-1-(1,3-benzodioxol-5-yl)-2-(hydroxymethyl)-1,4-butanediol
syn-2-hydroxymethyl-1-(3',4'-methylenedioxyphenyl)-butane-1,4-diol
syn-2-hydroxymethyl-1-(3,4-methylenedioxy-phenyl)-butane-1,4-diol |
| CAS Registry Number |
108763-70-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O5 |
| InChI |
InChI=1S/C12H16O5/c13-4-3-9(6-14)12(15)8-1-2-10-11(5-8)17-7-16-10/h1-2,5,9,12-15H,3-4,6-7H2/t9-,12-/m0/s1 |
| InChIKey |
COHJPGMWYAOKAX-CABZTGNLSA-N |
| Molecular Weight |
240.255 g/mol |
| SMILES |
OC[C@](CCO)([C@](c1cc2OCOc2cc1)(O)[H])[H] |
| SPLASH |
splash10-0ue9-6900000000-e60c4e858dd70a97a5f0 |
| Source of Spectrum |
F-42-4292-12 |
| Wiley ID |
1242660 |
