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Knerachelin A

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Knerachelin A
SpectraBase Compound ID 6DfpZyvwXbr
InChI InChI=1S/C18H20O4/c1-22-14-11-16(20)18(17(21)12-14)15(19)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12,20-21H,5-6,9-10H2,1H3
InChIKey ICBQRENZQVXEPH-UHFFFAOYSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KPnCyBgNsJt
Name Knerachelin-A
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.136159120 u
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-22-14-11-16(20)18(17(21)12-14)15(19)10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12,20-21H,5-6,9-10H2,1H3
InChIKey ICBQRENZQVXEPH-UHFFFAOYSA-N
Molecular Weight 300.354 g/mol
SMILES C(=O)(CCCCC1=CC=CC=C1)C1=C(O)C=C(OC)C=C1O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.807952