| SpectraBase Spectrum ID |
GXanWpBgEhl |
| Name |
[(2R,3S,10S)-2-Benzyloxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-yn-3-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.245709571 u |
| Formula |
C23H34O4 |
| InChI |
InChI=1S/C23H34O4/c1-18(22-17-26-23(3,4)27-22)12-8-5-6-11-15-21(24)19(2)25-16-20-13-9-7-10-14-20/h7,9-10,13-14,18-19,21-22,24H,5,8,12,15-17H2,1-4H3/t18-,19+,21-,22-/m0/s1 |
| InChIKey |
FPZUEWZSEITSDU-MXNKGDRCSA-N |
| Molecular Weight |
374.521 g/mol |
| SMILES |
C1(O[C@@](CO1)([C@](CCCC#CC[C@@]([C@](OCC1=CC=CC=C1)(C)[H])(O)[H])(C)[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.906807 |
![[(2R,3S,10S)-2-Benzyloxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-yn-3-ol](/api/spectrum/GXanWpBgEhl/structure.png?h=300&w=458 "[(2R,3S,10S)-2-Benzyloxy-10-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undec-5-yn-3-ol")
