| SpectraBase Spectrum ID |
DXkMi6rTBVy |
| Name |
o-Cresol, 4-tert-butyl-, phosphite (3:1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
520.310632304 u |
| Formula |
C33H45O3P |
| InChI |
InChI=1S/C33H45O3P/c1-22-19-25(31(4,5)6)13-16-28(22)34-37(35-29-17-14-26(20-23(29)2)32(7,8)9)36-30-18-15-27(21-24(30)3)33(10,11)12/h13-21H,1-12H3 |
| InChIKey |
LZKGGNWTUOOJJM-UHFFFAOYSA-N |
| Molecular Weight |
520.694 g/mol |
| SMILES |
CC(C)(C)C1=CC(C)=C(C=C1)OP(OC1=CC=C(C(C)(C)C)C=C1C)OC1=CC=C(C(C)(C)C)C=C1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949238 |
