SpectraBase Spectrum ID |
B814qOhCUB1 |
Name |
2-Methyl-1-(1-naphthyl)pent-4-en-1-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.120115134 u |
Formula |
C16H16O |
InChI |
InChI=1S/C16H16O/c1-3-7-12(2)16(17)15-11-6-9-13-8-4-5-10-14(13)15/h3-6,8-12H,1,7H2,2H3 |
InChIKey |
DRJPCSUOBDWQRK-UHFFFAOYSA-N |
Molecular Weight |
224.303 g/mol |
SMILES |
C1(=C2C(=CC=C1)C=CC=C2)C(C(CC=C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86822 |