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4-Methyl-5-methoxycarbonyl-1-oxaspiro(5,5)undec-3-en-2-one

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

4-Methyl-5-methoxycarbonyl-1-oxaspiro(5,5)undec-3-en-2-one
SpectraBase Compound ID 5DGdTmsc2U1
InChI InChI=1S/C13H18O4/c1-9-8-10(14)17-13(6-4-3-5-7-13)11(9)12(15)16-2/h8,11H,3-7H2,1-2H3
InChIKey KPKLDMRVROWGQD-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8p86Ltud0CQ
Name 4-Methyl-5-methoxycarbonyl-1-oxaspiro(5,5)undec-3-en-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.120509056 u
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-9-8-10(14)17-13(6-4-3-5-7-13)11(9)12(15)16-2/h8,11H,3-7H2,1-2H3
InChIKey KPKLDMRVROWGQD-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C=1C(OC2(C(C1C)C(OC)=O)CCCCC2)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.849725