| SpectraBase Spectrum ID |
8lMLCAIi0JC |
| Name |
2,2-bis(Hydroxymethyl)-3,4-dihydro-1(2H)-naphthalenone, dibenzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.146723803 u |
| Formula |
C26H22O5 |
| InChI |
InChI=1S/C26H22O5/c27-23-22-14-8-7-9-19(22)15-16-26(23,17-30-24(28)20-10-3-1-4-11-20)18-31-25(29)21-12-5-2-6-13-21/h1-14H,15-18H2 |
| InChIKey |
NXAWXNAEUIPBQA-UHFFFAOYSA-N |
| Molecular Weight |
414.457 g/mol |
| SMILES |
C1C=2C=CC=CC2C(=O)C(C1)(COC(=O)C=1C=CC=CC1)COC(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Raman) |
0.988622 |
