| SpectraBase Spectrum ID |
IZnejdhoUXn |
| Name |
2-(9H-Fluoren-9-ylidene)-3,4-dihydro-6-(4-methoxyphenyl)-3,4-diphenyl-2H-1,3-thiazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
521.181335666 u |
| Formula |
C36H27NOS |
| InChI |
InChI=1S/C36H27NOS/c1-38-28-22-20-26(21-23-28)34-24-33(25-12-4-2-5-13-25)37(27-14-6-3-7-15-27)36(39-34)35-31-18-10-8-16-29(31)30-17-9-11-19-32(30)35/h2-24,33H,1H3 |
| InChIKey |
XYPAXGLRCDUCQS-UHFFFAOYSA-N |
| Molecular Weight |
521.678 g/mol |
| SMILES |
C1(=C2C3=C(C=CC=C3)C3=C2C=CC=C3)N(C(C2=CC=CC=C2)C=C(S1)C1=CC=C(C=C1)OC)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910295 |
