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3,5-Methano-2H-cyclopenta[B]furan-2,4(5H)-dione, 3,3A,6,6A-tetrahydro-, (3R,3A-trans,5-cis,6A-trans)-
SpectraBase Compound ID CiHkgBc3H
InChI InChI=1S/C8H8O3/c9-7-3-1-4-6(7)5(2-3)11-8(4)10/h3-6H,1-2H2
InChIKey AQKBGJBWNCCFDA-UHFFFAOYSA-N
Mol Weight 152.15 g/mol
Molecular Formula C8H8O3
Exact Mass 152.047344 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 38XX1GipWjf
Name 3,5-Methano-2H-cyclopenta[B]furan-2,4(5H)-dione, 3,3A,6,6A-tetrahydro-, (3R,3A-trans,5-cis,6A-trans)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 152.047344115 u
Formula C8H8O3
InChI InChI=1S/C8H8O3/c9-7-3-1-4-6(7)5(2-3)11-8(4)10/h3-6H,1-2H2
InChIKey AQKBGJBWNCCFDA-UHFFFAOYSA-N
Molecular Weight 152.149 g/mol
SMILES C12C3CC(C2=O)CC1C(O3)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.991665