| SpectraBase Spectrum ID |
1KjmZZsitNJ |
| Name |
2-(2-Tosyl-2-indanyl)acetaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.097665611 u |
| Formula |
C18H18O3S |
| InChI |
InChI=1S/C18H18O3S/c1-14-6-8-17(9-7-14)22(20,21)18(10-11-19)12-15-4-2-3-5-16(15)13-18/h2-9,11H,10,12-13H2,1H3 |
| InChIKey |
MINHCXIGEYUNPA-UHFFFAOYSA-N |
| Molecular Weight |
314.399 g/mol |
| SMILES |
C1(S(C=2C=CC(=CC2)C)(=O)=O)(CC=2C=CC=CC2C1)CC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878809 |
