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5-Hydroxy-5-cyanomethyl-4-phenyl-2-furanone

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5-Hydroxy-5-cyanomethyl-4-phenyl-2-furanone
SpectraBase Compound ID 4l89K9QeGJY
InChI InChI=1S/C12H9NO3/c13-7-6-12(15)10(8-11(14)16-12)9-4-2-1-3-5-9/h1-5,8,15H,6H2
InChIKey IVGIZDLKZIIZQD-UHFFFAOYSA-N
Mol Weight 215.21 g/mol
Molecular Formula C12H9NO3
Exact Mass 215.058243 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ATCaCmA8KnJ
Name 5-Hydroxy-5-cyanomethyl-4-phenyl-2-furanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 215.058243151 u
Formula C12H9NO3
InChI InChI=1S/C12H9NO3/c13-7-6-12(15)10(8-11(14)16-12)9-4-2-1-3-5-9/h1-5,8,15H,6H2
InChIKey IVGIZDLKZIIZQD-UHFFFAOYSA-N
Molecular Weight 215.208 g/mol
SMILES C1(C(=CC(O1)=O)C=1C=CC=CC1)(CC#N)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931318