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6-Methoxyprimnatrienone

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 MS (GC)

6-Methoxyprimnatrienone
SpectraBase Compound ID Ap1cTLmdCzr
InChI InChI=1S/C16H22O2/c1-9(2)11-7-13(18-6)10(3)14-12(11)8-16(4,5)15(14)17/h7,9H,8H2,1-6H3
InChIKey NOCWBZZHYPKCKG-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID YFHnGZAtnm
Name 6-Methoxyprimnatrienone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.161979946 u
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-9(2)11-7-13(18-6)10(3)14-12(11)8-16(4,5)15(14)17/h7,9H,8H2,1-6H3
InChIKey NOCWBZZHYPKCKG-UHFFFAOYSA-N
Molecular Weight 246.350 g/mol
SMILES C1(=O)C(CC2=C(C=C(C(=C12)C)OC)C(C)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898165