| SpectraBase Spectrum ID |
8WS8STSFIib |
| Name |
(E),(Z)-1-(1'-Methyl)benzylidene-6-(1,1-dimethylethyl)-1H-indene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.172150708 u |
| Formula |
C21H22 |
| InChI |
InChI=1S/C21H22/c1-15(16-8-6-5-7-9-16)19-13-11-17-10-12-18(14-20(17)19)21(2,3)4/h5-14H,1-4H3/b19-15- |
| InChIKey |
MKIKFYMGFLWGNA-CYVLTUHYSA-N |
| Molecular Weight |
274.407 g/mol |
| SMILES |
C1=2\C(C=CC1=CC=C(C2)C(C)(C)C)=C/(C1=CC=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943494 |
