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5-[5'-Isopropyltetrahydrofuran-2'-yl]-2-(1'-hydroxyethyl)-tetrahydrofuran
SpectraBase Compound ID 5ujOaHwU3BA
InChI InChI=1S/C13H24O3/c1-8(2)10-4-6-12(15-10)13-7-5-11(16-13)9(3)14/h8-14H,4-7H2,1-3H3/t9-,10-,11+,12-,13?/m1/s1
InChIKey QNXWNSBLPNREQC-HENWMNBSSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 640kNCKKypO
Name 5-[5'-Isopropyltetrahydrofuran-2'-yl]-2-(1'-hydroxyethyl)-tetrahydrofuran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.172544630 u
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-8(2)10-4-6-12(15-10)13-7-5-11(16-13)9(3)14/h8-14H,4-7H2,1-3H3/t9-,10-,11+,12-,13?/m1/s1
InChIKey QNXWNSBLPNREQC-HENWMNBSSA-N
Molecular Weight 228.332 g/mol
SMILES C1(O[C@@](CC1)([C@](O)(C)[H])[H])[C@@]1(O[C@](C(C)C)([H])CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867146