| SpectraBase Spectrum ID |
BW1RGz2gsMM |
| Name |
(2R,3S,6R)-3-Benzoxy-2-(benzoxymethyl)-6-phenyl-3,6-dihydro-2H-pyran-5-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.183109313 u |
| Formula |
C27H26O4 |
| InChI |
InChI=1S/C27H26O4/c28-17-24-16-25(30-19-22-12-6-2-7-13-22)26(20-29-18-21-10-4-1-5-11-21)31-27(24)23-14-8-3-9-15-23/h1-17,25-27H,18-20H2/t25-,26+,27+/m0/s1 |
| InChIKey |
JSLKCLLRFXVHTN-OYUWMTPXSA-N |
| Molecular Weight |
414.501 g/mol |
| SMILES |
C=1([C@](O[C@@]([C@](C1)(OCC=1C=CC=CC1)[H])(COCC=1C=CC=CC1)[H])(C1=CC=CC=C1)[H])C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943481 |
