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3-Oxo-3H-spiro[benzofuran-2,2'-chromen]-7'-yl acetate

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

3-Oxo-3H-spiro[benzofuran-2,2'-chromen]-7'-yl acetate
SpectraBase Compound ID 5axyuFwTbhR
InChI InChI=1S/C18H12O5/c1-11(19)21-13-7-6-12-8-9-18(23-16(12)10-13)17(20)14-4-2-3-5-15(14)22-18/h2-10H,1H3
InChIKey WRVGMPBBGKVCHO-UHFFFAOYSA-N
Mol Weight 308.29 g/mol
Molecular Formula C18H12O5
Exact Mass 308.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GFIeqmaj4Qb
Name 3-oxo-3H-Spiro[benzofuran-2,2'-chromen]-7'-yl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.068473481 u
Formula C18H12O5
InChI InChI=1S/C18H12O5/c1-11(19)21-13-7-6-12-8-9-18(23-16(12)10-13)17(20)14-4-2-3-5-15(14)22-18/h2-10H,1H3
InChIKey WRVGMPBBGKVCHO-UHFFFAOYSA-N
Molecular Weight 308.289 g/mol
SMILES C12(OC3=C(C=CC(=C3)OC(C)=O)C=C1)OC1=CC=CC=C1C2=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96072