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1-[Bis(methoxycarbonyl)methylidene]-1,2-dihydronaphthalen-2-one

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

1-[Bis(methoxycarbonyl)methylidene]-1,2-dihydronaphthalen-2-one
SpectraBase Compound ID 8nTCRvtGPwi
InChI InChI=1S/C15H12O5/c1-19-14(17)13(15(18)20-2)12-10-6-4-3-5-9(10)7-8-11(12)16/h3-8H,1-2H3
InChIKey BKRNPVFGVYBCLY-UHFFFAOYSA-N
Mol Weight 272.26 g/mol
Molecular Formula C15H12O5
Exact Mass 272.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Erx6D0h0XNH
Name 1-[bis(Methoxycarbonyl)methylidene]-1,2-dihydronaphthalen-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.068473481 u
Formula C15H12O5
InChI InChI=1S/C15H12O5/c1-19-14(17)13(15(18)20-2)12-10-6-4-3-5-9(10)7-8-11(12)16/h3-8H,1-2H3
InChIKey BKRNPVFGVYBCLY-UHFFFAOYSA-N
SMILES C12=C(C=CC=C2)C(C(C=C1)=O)=C(C(OC)=O)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.976531