SpectraBase Spectrum ID |
AcU3WBNRtbr |
Name |
(Trans)-2-phenyl-3-ethenyl-tetrahydropyran |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
188.120115134 u |
Formula |
C13H16O |
InChI |
InChI=1S/C13H16O/c1-2-11-9-6-10-14-13(11)12-7-4-3-5-8-12/h2-5,7-8,11,13H,1,6,9-10H2/t11-,13-/m1/s1 |
InChIKey |
KTJVLUGWUSJCRE-DGCLKSJQSA-N |
Molecular Weight |
188.270 g/mol |
SMILES |
[C@@]1(OCCC[C@]1(C=C)[H])(C=1C=CC=CC1)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870732 |