| SpectraBase Spectrum ID |
96cjCWHYUgn |
| Name |
(E,2S,5R)-3,4-Dimethyl-5-(p-anisyloxymethoxy)-2-(3-trityloxypropyl)hex-3-en-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
594.334524576 u |
| Formula |
C39H46O5 |
| InChI |
InChI=1S/C39H46O5/c1-30(32(3)43-29-42-28-33-22-24-38(41-4)25-23-33)31(2)34(27-40)15-14-26-44-39(35-16-8-5-9-17-35,36-18-10-6-11-19-36)37-20-12-7-13-21-37/h5-13,16-25,32,34,40H,14-15,26-29H2,1-4H3/b31-30+/t32-,34-/m1/s1 |
| InChIKey |
OJWNCTIKQKFBOB-IDIKYWQXSA-N |
| Molecular Weight |
594.792 g/mol |
| SMILES |
[C@@](\C(=C\([C@](OCOCC1=CC=C(C=C1)OC)(C)[H])C)C)(CO)(CCCOC(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804814 |
