| SpectraBase Spectrum ID |
2Y980BJ0xI3 |
| Name |
(3S)-3,4-Dihydro-3-[(1S,2R)-1,2-dihydroxy-3-[(4-chlorobenzyl)oxy]propyl]-7-methoxy-1H-2-benzopyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.123401536 u |
| Formula |
C20H23ClO5 |
| InChI |
InChI=1S/C20H23ClO5/c1-24-17-7-4-14-8-15(11-26-19(14)9-17)20(23)18(22)12-25-10-13-2-5-16(21)6-3-13/h2-7,9,15,18,20,22-23H,8,10-12H2,1H3/t15?,18-,20+/m1/s1 |
| InChIKey |
MNYFUEFEIJMMDR-JFSACEIJSA-N |
| Molecular Weight |
378.852 g/mol |
| SMILES |
C1(CC=2C(=CC(=CC2)OC)OC1)[C@@]([C@](O)(COCC1=CC=C(C=C1)Cl)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891168 |
![(3S)-3,4-dihydro-3-[(1S,2R)-1,2-dihydroxy-3-[(4-chlorobenzyl)oxy]propyl]-7-methoxy-1H-2-benzopyran](/api/spectrum/2Y980BJ0xI3/structure.png?h=300&w=458 "(3S)-3,4-dihydro-3-[(1S,2R)-1,2-dihydroxy-3-[(4-chlorobenzyl)oxy]propyl]-7-methoxy-1H-2-benzopyran")
