| SpectraBase Spectrum ID |
G6dIEUHuBTc |
| Name |
3-Furanmethanol, 5-(3,4-dimethoxyphenyl)tetrahydro-.alpha.-phenyl-4-(phenylsulfonyl)-, [3R-[3.alpha.(S*),4.beta.,5.alpha.]]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.145009725 u |
| Formula |
C25H26O6S |
| InChI |
InChI=1S/C25H26O6S/c1-29-21-14-13-18(15-22(21)30-2)24-25(32(27,28)19-11-7-4-8-12-19)20(16-31-24)23(26)17-9-5-3-6-10-17/h3-15,20,23-26H,16H2,1-2H3/t20-,23?,24+,25+/m1/s1 |
| InChIKey |
JRCDUQPXXUKDQK-YZMDZPLRSA-N |
| Molecular Weight |
454.537 g/mol |
| SMILES |
[C@@]1(S(=O)(=O)C=2C=CC=CC2)([C@](CO[C@]1(C=1C=C(OC)C(=CC1)OC)[H])(C(C1=CC=CC=C1)O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893648 |
![3-Furanmethanol, 5-(3,4-dimethoxyphenyl)tetrahydro-.alpha.-phenyl-4-(phenylsulfonyl)-, [3R-[3.alpha.(S*),4.beta.,5.alpha.]]-](/api/spectrum/G6dIEUHuBTc/structure.png?h=300&w=458 "3-Furanmethanol, 5-(3,4-dimethoxyphenyl)tetrahydro-.alpha.-phenyl-4-(phenylsulfonyl)-, [3R-[3.alpha.(S*),4.beta.,5.alpha.]]-")
