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6'-Methoxycymopol

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

6'-Methoxycymopol
SpectraBase Compound ID IY0PLtBNIpc
InChI InChI=1S/C17H23BrO2/c1-12(2)6-5-7-13(3)8-9-14-10-17(20-4)15(18)11-16(14)19/h6,8,10-11,19H,5,7,9H2,1-4H3/b13-8+
InChIKey XJQXXTLWABCJIB-MDWZMJQESA-N
Mol Weight 339.27 g/mol
Molecular Formula C17H23BrO2
Exact Mass 338.088143 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FtwbnlX2pSj
Name 6'-Methoxycymopol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.088142979 u
Formula C17H23BrO2
InChI InChI=1S/C17H23BrO2/c1-12(2)6-5-7-13(3)8-9-14-10-17(20-4)15(18)11-16(14)19/h6,8,10-11,19H,5,7,9H2,1-4H3/b13-8+
InChIKey XJQXXTLWABCJIB-MDWZMJQESA-N
Molecular Weight 339.273 g/mol
SMILES C=1(O)C(C\C=C\(CCC=C(C)C)C)=CC(=C(C1)Br)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901824