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1-Oxacyclododec-6-ene-2,10-dione, 7-methyl-

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

1-Oxacyclododec-6-ene-2,10-dione, 7-methyl-
SpectraBase Compound ID 6RzPx5Tb98N
InChI InChI=1S/C12H18O3/c1-10-4-2-3-5-12(14)15-9-8-11(13)7-6-10/h4H,2-3,5-9H2,1H3/b10-4-
InChIKey RTGKDJPRUBDLHF-WMZJFQQLSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DVWKx6z5aUL
Name 1-Oxacyclododec-6-ene-2,10-dione, 7-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-10-4-2-3-5-12(14)15-9-8-11(13)7-6-10/h4H,2-3,5-9H2,1H3/b10-4-
InChIKey RTGKDJPRUBDLHF-WMZJFQQLSA-N
Molecular Weight 210.273 g/mol
SMILES C1(=O)CCOC(CCC\C=C\(C)CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983297