SpectraBase Spectrum ID |
BanXZGNVBd3 |
Name |
1-Phenyl-4-oxaspiro[4.5]decan-3-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
230.130679818 u |
Formula |
C15H18O2 |
InChI |
InChI=1S/C15H18O2/c16-14-11-13(12-7-3-1-4-8-12)15(17-14)9-5-2-6-10-15/h1,3-4,7-8,13H,2,5-6,9-11H2 |
InChIKey |
UZJKXOIVDHPAKH-UHFFFAOYSA-N |
Molecular Weight |
230.307 g/mol |
SMILES |
C1(OC2(C(C1)C=1C=CC=CC1)CCCCC2)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841944 |