| SpectraBase Spectrum ID |
AeatTIOqMAW |
| Name |
(S,S)-(E)-3,3'-Dimethyl-DELTA1,1'-biindan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.156500644 u |
| Formula |
C20H20 |
| InChI |
InChI=1S/C20H20/c1-13-11-19(17-9-5-3-7-15(13)17)20-12-14(2)16-8-4-6-10-18(16)20/h3-10,13-14H,11-12H2,1-2H3/b20-19+/t13-,14-/m0/s1 |
| InChIKey |
FIPXTRRILDWCDM-JSDXIQQBSA-N |
| Molecular Weight |
260.380 g/mol |
| SMILES |
C=12C=CC=CC1\C(C[C@@]2(C)[H])=C\1C=2C=CC=CC2[C@](C1)(C)[H] |
| Spectrum/Structure Validation Score (Raman) |
0.991112 |
