| SpectraBase Spectrum ID |
9nW5z4cIVUX |
| Name |
Phenol, 4-methoxy-, phosphite (3:1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.107575388 u |
| Formula |
C21H21O6P |
| InChI |
InChI=1S/C21H21O6P/c1-22-16-4-10-19(11-5-16)25-28(26-20-12-6-17(23-2)7-13-20)27-21-14-8-18(24-3)9-15-21/h4-15H,1-3H3 |
| InChIKey |
VDAQOERDAAOXQV-UHFFFAOYSA-N |
| Molecular Weight |
400.367 g/mol |
| SMILES |
C1=C(OP(OC2=CC=C(OC)C=C2)OC2=CC=C(C=C2)OC)C=CC(=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835299 |
