SpectraBase Spectrum ID |
9mWU1hmM7oo |
Name |
(4R)-(+)-4-hydroxy-4-phenyl-2-butynyl methyl ether |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
176.083729624 u |
Formula |
C11H12O2 |
InChI |
InChI=1S/C11H12O2/c1-13-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6-7,11-12H,9H2,1H3/t11-/m0/s1 |
InChIKey |
DVCRIAYPZFAUNX-NSHDSACASA-N |
Molecular Weight |
176.215 g/mol |
SMILES |
C(#CCOC)[C@@](C1=CC=CC=C1)(O)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924704 |