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(4S,5R)-cis-Dihydro-4-hydroxymethyl-5-pentyl-2(3H)-furanone
SpectraBase Compound ID 8pTSHSO04tT
InChI InChI=1S/C10H18O3/c1-2-3-4-5-9-8(7-11)6-10(12)13-9/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1
InChIKey OKPUTBQXAACJGU-DTWKUNHWSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Ds7CKSypDa
Name (4S,5R)-cis-Dihydro-4-hydroxymethyl-5-pentyl-2(3H)-furanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.125594437 u
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-2-3-4-5-9-8(7-11)6-10(12)13-9/h8-9,11H,2-7H2,1H3/t8-,9+/m0/s1
InChIKey OKPUTBQXAACJGU-DTWKUNHWSA-N
Molecular Weight 186.251 g/mol
SMILES C1(O[C@@]([C@@](C1)(CO)[H])(CCCCC)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.80034