| SpectraBase Spectrum ID |
5nV7mWyU6c3 |
| Name |
(2S,3R,4Z,6S,7R,1'E/Z)-3-Benzyloxy-2-benzyloxymethyl-6-(4-methoxybenzyloxy)-7-(2'-methoxvinyl)-2,3,6,7-tetrahydrooxepin |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.251188873 u |
| Formula |
C32H36O6 |
| InChI |
InChI=1S/C32H36O6/c1-33-20-19-31-29(36-23-27-13-15-28(34-2)16-14-27)17-18-30(37-22-26-11-7-4-8-12-26)32(38-31)24-35-21-25-9-5-3-6-10-25/h3-20,29-32H,21-24H2,1-2H3/t29-,30+,31+,32-/m0/s1 |
| InChIKey |
NIVRQIIQMXZNKK-BVEPWEIPSA-N |
| Molecular Weight |
516.634 g/mol |
| SMILES |
[C@@]1(O[C@@]([C@](C=C[C@]1(OCC=1C=CC=CC1)[H])(OCC=1C=CC(=CC1)OC)[H])(C=COC)[H])(COCC1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975976 |
