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(E)-2-(4-Methoxyl)methylenecyclobutanone
SpectraBase Compound ID FSlRCPjccGe
InChI InChI=1S/C12H12O2/c1-14-11-5-2-9(3-6-11)8-10-4-7-12(10)13/h2-3,5-6,8H,4,7H2,1H3/b10-8+
InChIKey UUMLBBDSYVHNIM-CSKARUKUSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Bnz3N7cJQDa
Name (E)-2-(4-Methoxyl)methylenecyclobutanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.083729624 u
Formula C12H12O2
InChI InChI=1S/C12H12O2/c1-14-11-5-2-9(3-6-11)8-10-4-7-12(10)13/h2-3,5-6,8H,4,7H2,1H3/b10-8+
InChIKey UUMLBBDSYVHNIM-CSKARUKUSA-N
Molecular Weight 188.226 g/mol
SMILES C=1(\C=C\2C(CC2)=O)C=CC(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887129