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Pentanenitrile, 4,5-bis(acetyloxy)-2,2-dimethyl-

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Pentanenitrile, 4,5-bis(acetyloxy)-2,2-dimethyl-
SpectraBase Compound ID LaDf8OeY278
InChI InChI=1S/C11H17NO4/c1-8(13)15-6-10(16-9(2)14)5-11(3,4)7-12/h10H,5-6H2,1-4H3
InChIKey LTWNKKYBUKZEAW-UHFFFAOYSA-N
Mol Weight 227.26 g/mol
Molecular Formula C11H17NO4
Exact Mass 227.115758 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7aNjOD4384S
Name Pentanenitrile, 4,5-bis(acetyloxy)-2,2-dimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.115758027 u
Formula C11H17NO4
InChI InChI=1S/C11H17NO4/c1-8(13)15-6-10(16-9(2)14)5-11(3,4)7-12/h10H,5-6H2,1-4H3
InChIKey LTWNKKYBUKZEAW-UHFFFAOYSA-N
Molecular Weight 227.260 g/mol
SMILES C(#N)C(CC(OC(=O)C)COC(=O)C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.968878