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cis-3-(Ethoxycarbonyl)-2-(1-methylethyl)-4-propyl-4-heptanolide

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

cis-3-(Ethoxycarbonyl)-2-(1-methylethyl)-4-propyl-4-heptanolide
SpectraBase Compound ID 1unZSk3PSsB
InChI InChI=1S/C16H28O4/c1-6-9-16(10-7-2)13(15(18)19-8-3)12(11(4)5)14(17)20-16/h11-13H,6-10H2,1-5H3/t12-,13-/m1/s1
InChIKey FKCVLFPOWCXBLE-CHWSQXEVSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4nPbheiQ1Qe
Name cis-3-(Ethoxycarbonyl)-2-(1-methylethyl)-4-propyl-4-heptanolide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-6-9-16(10-7-2)13(15(18)19-8-3)12(11(4)5)14(17)20-16/h11-13H,6-10H2,1-5H3/t12-,13-/m1/s1
InChIKey FKCVLFPOWCXBLE-CHWSQXEVSA-N
SMILES C1(OC(CCC)(CCC)[C@]([C@]1(C(C)C)[H])(C(=O)OCC)[H])=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965505