| SpectraBase Spectrum ID |
GS2pvtjrg10 |
| Name |
(2S,3S)-1,4-Ditert-butoxy-3-[(S)-(3-methoxyphenyl)-phenyl-methoxy]butan-2-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.271924319 u |
| Formula |
C26H38O5 |
| InChI |
InChI=1S/C26H38O5/c1-25(2,3)29-17-22(27)23(18-30-26(4,5)6)31-24(19-12-9-8-10-13-19)20-14-11-15-21(16-20)28-7/h8-16,22-24,27H,17-18H2,1-7H3/t22-,23-,24-/m0/s1 |
| InChIKey |
DEKXDSVKWICURU-HJOGWXRNSA-N |
| Molecular Weight |
430.585 g/mol |
| SMILES |
[C@](O[C@]([C@](COC(C)(C)C)(O)[H])(COC(C)(C)C)[H])(C=1C=C(OC)C=CC1)(C=1C=CC=CC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838322 |
![(2S,3S)-1,4-ditert-butoxy-3-[(S)-(3-methoxyphenyl)-phenyl-methoxy]butan-2-ol](/api/spectrum/GS2pvtjrg10/structure.png?h=300&w=458 "(2S,3S)-1,4-ditert-butoxy-3-[(S)-(3-methoxyphenyl)-phenyl-methoxy]butan-2-ol")
