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Champanone-B;reference

View entire compound with spectra: 1 NMR, and 1 FTIR

Champanone-B;reference
SpectraBase Compound ID LGxAvbNJLRZ
InChI InChI=1S/C18H18O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-10,19,21H,1-3H3/b10-9+,14-13+
InChIKey RIVKYPJYACDDOD-LBSPPQMYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8FD4FSREE5s
Name Champanone-B;reference
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.120509056 u
Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-10,19,21H,1-3H3/b10-9+,14-13+
InChIKey RIVKYPJYACDDOD-LBSPPQMYSA-N
SMILES C1(=O)C(C)(C)C(O)=C(C)C(=O)\C1=C/(O)\C=C\C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859927