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endo-1,6a-diacetoxy-1,1a-dihydrocycloprop[a]inden-6(6aH)-one
SpectraBase Compound ID GHwtgz1ADwn
InChI InChI=1S/C14H12O5/c1-7(15)18-13-11-9-5-3-4-6-10(9)12(17)14(11,13)19-8(2)16/h3-6,11,13H,1-2H3
InChIKey JMFMLFFYHQADHV-UHFFFAOYSA-N
Mol Weight 260.24 g/mol
Molecular Formula C14H12O5
Exact Mass 260.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ky1Kh9L0EQG
Name Endo-1,6A-diacetoxy-1,1A-dihydrocycloprop[A]inden-6(6ah)-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 260.068473481 u
Formula C14H12O5
InChI InChI=1S/C14H12O5/c1-7(15)18-13-11-9-5-3-4-6-10(9)12(17)14(11,13)19-8(2)16/h3-6,11,13H,1-2H3
InChIKey JMFMLFFYHQADHV-UHFFFAOYSA-N
Molecular Weight 260.245 g/mol
SMILES C12(C(C=3C=CC=CC3C2=O)C1OC(=O)C)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946455