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Trimethyl-3,4-methylenedioxychromane

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Trimethyl-3,4-methylenedioxychromane
SpectraBase Compound ID JTiQv4579oQ
InChI InChI=1S/C13H16O3/c1-8-4-9-5-11-12(15-7-14-11)6-10(9)13(2,3)16-8/h5-6,8H,4,7H2,1-3H3
InChIKey ZRLALQCFCZGKKK-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 78cdyuIDF0w
Name Trimethyl-3,4-methylenedioxychromane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-8-4-9-5-11-12(15-7-14-11)6-10(9)13(2,3)16-8/h5-6,8H,4,7H2,1-3H3
InChIKey ZRLALQCFCZGKKK-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES C1=C2OCOC2=CC2=C1C(OC(C2)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830472