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2-Isopropoxy-6-methoxychroman

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

2-Isopropoxy-6-methoxychroman
SpectraBase Compound ID Gfu8ogeKkBF
InChI InChI=1S/C13H18O3/c1-9(2)15-13-7-4-10-8-11(14-3)5-6-12(10)16-13/h5-6,8-9,13H,4,7H2,1-3H3
InChIKey PDTSPJAEKDWEPE-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KxI2KY75j9f
Name 2-Isopropoxy-6-methoxychroman
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.125594437 u
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-9(2)15-13-7-4-10-8-11(14-3)5-6-12(10)16-13/h5-6,8-9,13H,4,7H2,1-3H3
InChIKey PDTSPJAEKDWEPE-UHFFFAOYSA-N
Molecular Weight 222.284 g/mol
SMILES C1(CCC=2C=C(C=CC2O1)OC)OC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.915834