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N-Hexanoyl-homoserine-lactone

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N-Hexanoyl-homoserine-lactone
SpectraBase Compound ID Et3A9iGYvyP
InChI InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey ZJFKKPDLNLCPNP-QMMMGPOBSA-N
Mol Weight 199.25 g/mol
Molecular Formula C10H17NO3
Exact Mass 199.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9CwZESQm1Ym
Name N-Hexanoyl-homoserine-lactone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 199.120843408 u
Formula C10H17NO3
InChI InChI=1S/C10H17NO3/c1-2-3-4-5-9(12)11-8-6-7-14-10(8)13/h8H,2-7H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey ZJFKKPDLNLCPNP-QMMMGPOBSA-N
Molecular Weight 199.250 g/mol
SMILES C1(OCC[C@@]1(NC(=O)CCCCC)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952344