SpectraBase Spectrum ID |
3FIm0HPL3yp |
Name |
(S)-2-(but-3-en-2-yl)-6-Methoxynaphthalene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
212.120115134 u |
Formula |
C15H16O |
InChI |
InChI=1S/C15H16O/c1-4-11(2)12-5-6-14-10-15(16-3)8-7-13(14)9-12/h4-11H,1H2,2-3H3/t11-/m0/s1 |
InChIKey |
VVEHMVOLEBRUQR-NSHDSACASA-N |
Molecular Weight |
212.292 g/mol |
SMILES |
C1=CC(=CC=2C1=CC(=CC2)OC)[C@](C=C)(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.865781 |