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 |
SpectraBase Spectrum ID | 38XX1GipWjf |
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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 |