| SpectraBase Spectrum ID |
Kj0zXN70RMC |
| Name |
((5R,6R)-5-(4-Cyanophenyl)-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 |
385.113650028 u |
| Formula |
C24H19NO2S |
| InChI |
InChI=1S/C24H19NO2S/c25-14-16-6-8-17(9-7-16)24-20-13-22-21(26-15-27-22)12-18(20)10-11-23(24)28-19-4-2-1-3-5-19/h1-9,12-13,23-24H,10-11,15H2/t23-,24-/m1/s1 |
| InChIKey |
VQYGRYVGMUGETR-DNQXCXABSA-N |
| Molecular Weight |
385.481 g/mol |
| SMILES |
[C@@]1(C=2C(CC[C@]1(SC1=CC=CC=C1)[H])=CC1=C(OCO1)C2)(C1=CC=C(C=C1)C#N)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928264 |
![((5R,6R)-5-(4-Cyanophenyl)-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole](/api/spectrum/Kj0zXN70RMC/structure.png?h=300&w=458 "((5R,6R)-5-(4-Cyanophenyl)-6-(phenylthio)-5,6,7,8-tetrahydronaphtho[2,3-d]-1,3-dioxole")
