SpectraBase Spectrum ID |
KFDLseWSIrc |
Name |
(R,R)-Dipamp |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
458.156454136 u |
Formula |
C28H28O2P2 |
InChI |
InChI=1S/C28H28O2P2/c1-29-25-17-9-11-19-27(25)31(23-13-5-3-6-14-23)21-22-32(24-15-7-4-8-16-24)28-20-12-10-18-26(28)30-2/h3-20H,21-22H2,1-2H3 |
InChIKey |
QKZWXPLBVCKXNQ-UHFFFAOYSA-N |
Molecular Weight |
458.478 g/mol |
SMILES |
C1(P(C2=CC=CC=C2)CCP(C=2C=CC=CC2OC)C2=CC=CC=C2)=C(C=CC=C1)OC |
Spectrum/Structure Validation Score (Raman) |
0.911428 |