| SpectraBase Spectrum ID |
HTSLvIa54Mz |
| Name |
((5R,6R)-5-(4-Methoxyphenyl)-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-D]-1,3-dioxole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.128965739 u |
| Formula |
C24H22O3S |
| InChI |
InChI=1S/C24H22O3S/c1-25-18-10-7-16(8-11-18)24-20-14-22-21(26-15-27-22)13-17(20)9-12-23(24)28-19-5-3-2-4-6-19/h2-8,10-11,13-14,23-24H,9,12,15H2,1H3/t23-,24-/m1/s1 |
| InChIKey |
YXMBYJDBRUZBRY-DNQXCXABSA-N |
| Molecular Weight |
390.497 g/mol |
| SMILES |
[C@@]1(C=2C(CC[C@]1(SC1=CC=CC=C1)[H])=CC1=C(OCO1)C2)(C1=CC=C(C=C1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943006 |
![((5R,6R)-5-(4-Methoxyphenyl)-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole](/api/spectrum/HTSLvIa54Mz/structure.png?h=300&w=458 "((5R,6R)-5-(4-Methoxyphenyl)-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole")
