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3-[1-(1,3-Dioxa-2-methylpentyl)cyclobutyl]pentan-3-ol
SpectraBase Compound ID 8Pd4xk1CTgs
InChI InChI=1S/C13H26O3/c1-5-12(14,6-2)13(9-8-10-13)16-11(4)15-7-3/h11,14H,5-10H2,1-4H3
InChIKey JOXNLSHZKPAWMW-UHFFFAOYSA-N
Mol Weight 230.35 g/mol
Molecular Formula C13H26O3
Exact Mass 230.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Dc1swAz2dIP
Name 3-[1-(1,3-Dioxa-2-methylpentyl)cyclobutyl]pentan-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.188194694 u
Formula C13H26O3
InChI InChI=1S/C13H26O3/c1-5-12(14,6-2)13(9-8-10-13)16-11(4)15-7-3/h11,14H,5-10H2,1-4H3
InChIKey JOXNLSHZKPAWMW-UHFFFAOYSA-N
Molecular Weight 230.348 g/mol
SMILES C1(OC(OCC)C)(C(O)(CC)CC)CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.878181