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1,3-Cyclopentanedione, 2-(4-methoxy-2-methyl-2-butenyl)-2-methyl-

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

1,3-Cyclopentanedione, 2-(4-methoxy-2-methyl-2-butenyl)-2-methyl-
SpectraBase Compound ID 15ZshHDA0Ob
InChI InChI=1S/C12H18O3/c1-9(6-7-15-3)8-12(2)10(13)4-5-11(12)14/h6H,4-5,7-8H2,1-3H3/b9-6+
InChIKey LJCZYOUPHIELRN-RMKNXTFCSA-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 71jgvoiiXAd
Name 1,3-Cyclopentanedione, 2-(4-methoxy-2-methyl-2-butenyl)-2-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/c1-9(6-7-15-3)8-12(2)10(13)4-5-11(12)14/h6H,4-5,7-8H2,1-3H3/b9-6+
InChIKey LJCZYOUPHIELRN-RMKNXTFCSA-N
Molecular Weight 210.273 g/mol
SMILES C1(C(CCC1=O)=O)(C\C(=C\COC)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90761