| SpectraBase Spectrum ID |
BYoruGU4inO |
| Name |
(2S,6S)-6-(4-Fluorophenoxymethyl)-2-(1-hydroxybut-3-yn-4-yl)tetrahydropyran |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
278.131822632 u |
| Formula |
C16H19FO3 |
| InChI |
InChI=1S/C16H19FO3/c17-13-7-9-14(10-8-13)19-12-16-6-3-5-15(20-16)4-1-2-11-18/h7-10,15-16,18H,2-3,5-6,11-12H2/t15-,16+/m1/s1 |
| InChIKey |
JMTZMQXLIYZVKK-CVEARBPZSA-N |
| Molecular Weight |
278.323 g/mol |
| SMILES |
C(#CCCO)[C@]1(O[C@@](COC2=CC=C(C=C2)F)([H])CCC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936169 |
