| SpectraBase Spectrum ID |
2tiGmntRlW4 |
| Name |
9-Isopropyl-2-methoxy-3-(phenylsulfonyl)-7,12-dimethylbenzo[A]heptalen-4-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.170830552 u |
| Formula |
C28H28O4S |
| InChI |
InChI=1S/C28H28O4S/c1-17(2)20-13-11-19(4)26-23(15-20)18(3)12-14-22-24(26)16-25(32-5)28(27(22)29)33(30,31)21-9-7-6-8-10-21/h6-17,29H,1-5H3 |
| InChIKey |
MNSNOGLTGIGWGL-UHFFFAOYSA-N |
| Molecular Weight |
460.588 g/mol |
| SMILES |
C=12C(C=CC(=C3C=C(C=CC(=C23)C)C(C)C)C)=C(C(=C(C1)OC)S(=O)(=O)C=1C=CC=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83227 |
![9-Isopropyl-2-methoxy-3-(phenylsulfonyl)-7,12-dimethylbenzo[a]heptalen-4-ol](/api/spectrum/2tiGmntRlW4/structure.png?h=300&w=458 "9-Isopropyl-2-methoxy-3-(phenylsulfonyl)-7,12-dimethylbenzo[a]heptalen-4-ol")
