| SpectraBase Spectrum ID |
IlwIJEjTSI8 |
| Name |
(R)-S-Naphthalen-1-yl 4-(benzo[D][1,3]dioxol-5-yl)-4-cyano-5-oxohexanethioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.103479266 u |
| Formula |
C24H19NO4S |
| InChI |
InChI=1S/C24H19NO4S/c1-16(26)24(14-25,18-9-10-20-21(13-18)29-15-28-20)12-11-23(27)30-22-8-4-6-17-5-2-3-7-19(17)22/h2-10,13H,11-12,15H2,1H3/t24-/m1/s1 |
| InChIKey |
VLQHRTTZNJCFEW-XMMPIXPASA-N |
| Molecular Weight |
417.479 g/mol |
| SMILES |
C1(SC(CC[C@@](C(=O)C)(C2=CC=C3OCOC3=C2)C#N)=O)=CC=CC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822274 |
![(R)-S-naphthalen-1-yl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanethioate](/api/spectrum/IlwIJEjTSI8/structure.png?h=300&w=458 "(R)-S-naphthalen-1-yl 4-(benzo[d][1,3]dioxol-5-yl)-4-cyano-5-oxohexanethioate")
