| SpectraBase Spectrum ID |
L8JlikdlG06 |
| Name |
(3S,4R)-4-(Benzo[D][1,3]dioxol-5-ylmethyl)-3-(hydroxy(4-methoxyphenyl)methyl)-dihydrofuran-2(3H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.125988358 u |
| Formula |
C20H20O6 |
| InChI |
InChI=1S/C20H20O6/c1-23-15-5-3-13(4-6-15)19(21)18-14(10-24-20(18)22)8-12-2-7-16-17(9-12)26-11-25-16/h2-7,9,14,18-19,21H,8,10-11H2,1H3/t14-,18-,19?/m0/s1 |
| InChIKey |
PCTUPZPAYKOORH-ZWSMLAFMSA-N |
| Molecular Weight |
356.374 g/mol |
| SMILES |
[C@]1(C(OC[C@@]1(CC=1C=C2OCOC2=CC1)[H])=O)(C(C1=CC=C(C=C1)OC)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972218 |
![(3S,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(hydroxy(4-methoxyphenyl)methyl)-dihydrofuran-2(3H)-one](/api/spectrum/L8JlikdlG06/structure.png?h=300&w=458 "(3S,4R)-4-(Benzo[d][1,3]dioxol-5-ylmethyl)-3-(hydroxy(4-methoxyphenyl)methyl)-dihydrofuran-2(3H)-one")
