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N-(2,4,6-trimethyl-1,5-dioxo-1,2,4,5-tetrahydropentalen-2-yl)benzamide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

N-(2,4,6-trimethyl-1,5-dioxo-1,2,4,5-tetrahydropentalen-2-yl)benzamide
SpectraBase Compound ID DoKyxLD8V8R
InChI InChI=1S/C18H17NO3/c1-10-13-9-18(3,16(21)14(13)11(2)15(10)20)19-17(22)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,22)
InChIKey LEQVAGCZGJBSKP-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 30EcmYjkcRz
Name N-(2,4,6-Trimethyl-1,5-dioxo-1,2,4,5-tetrahydropentalen-2-yl)benzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.120843408 u
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-10-13-9-18(3,16(21)14(13)11(2)15(10)20)19-17(22)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,19,22)
InChIKey LEQVAGCZGJBSKP-UHFFFAOYSA-N
SMILES C1(C(=O)C=2C(=C1)C(C(=O)C2C)C)(NC(=O)C1=CC=CC=C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975959