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6-Acetyl-8-allyloxy-7-hydroxy-2,2-dimethylchroman

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

6-Acetyl-8-allyloxy-7-hydroxy-2,2-dimethylchroman
SpectraBase Compound ID AqtxWGaDx91
InChI InChI=1S/C16H20O4/c1-5-8-19-15-13(18)12(10(2)17)9-11-6-7-16(3,4)20-14(11)15/h5,9,18H,1,6-8H2,2-4H3
InChIKey XIPRNDBVKODDMU-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8oNDkTLT1dU
Name 6-Acetyl-8-allyloxy-7-hydroxy-2,2-dimethylchroman
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.136159120 u
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-5-8-19-15-13(18)12(10(2)17)9-11-6-7-16(3,4)20-14(11)15/h5,9,18H,1,6-8H2,2-4H3
InChIKey XIPRNDBVKODDMU-UHFFFAOYSA-N
SMILES C1(CCC=2C=C(C(=C(C2O1)OCC=C)O)C(=O)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823189