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Seiridin;(3-methyl-4-(2-hydroxyheptyl)-2(5H)-furanone)

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

Seiridin;(3-methyl-4-(2-hydroxyheptyl)-2(5H)-furanone)
SpectraBase Compound ID 535imLZOKB6
InChI InChI=1S/C12H20O3/c1-9(13)6-4-3-5-7-11-8-15-12(14)10(11)2/h9,13H,3-8H2,1-2H3/t9-/m1/s1
InChIKey SPMSMOKNNWFXOX-SECBINFHSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KRQhf722OXQ
Name Seiridin;(3-methyl-4-(2-hydroxyheptyl)-2(5H)-furanone)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-9(13)6-4-3-5-7-11-8-15-12(14)10(11)2/h9,13H,3-8H2,1-2H3/t9-/m1/s1
InChIKey SPMSMOKNNWFXOX-SECBINFHSA-N
Molecular Weight 212.289 g/mol
SMILES C1(OCC(=C1C)CCCCC[C@](O)(C)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947603