| SpectraBase Spectrum ID |
3Rl7n9y77T2 |
| Name |
Spiro[3-cyclopentene-1,9'-[9H]-florene], 3,4-dimethyl-2-(methylthio)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.128571818 u |
| Formula |
C20H20S |
| InChI |
InChI=1S/C20H20S/c1-13-12-20(19(21-3)14(13)2)17-10-6-4-8-15(17)16-9-5-7-11-18(16)20/h4-11,19H,12H2,1-3H3/t19-/m0/s1 |
| InChIKey |
PMCHSJFMWOFONN-IBGZPJMESA-N |
| SMILES |
C12([C@](C(C)=C(C2)C)(SC)[H])C2=C(C=CC=C2)C=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959828 |
![Spiro[3-cyclopentene-1,9'-[9H]-florene], 3,4-dimethyl-2-(methylthio)-](/api/spectrum/3Rl7n9y77T2/structure.png?h=300&w=458 "Spiro[3-cyclopentene-1,9'-[9H]-florene], 3,4-dimethyl-2-(methylthio)-")
