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N-(3',3',4'-Trimethylpenta-1',4'-dien-1'-yl)-N-methylbenzamide

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N-(3',3',4'-Trimethylpenta-1',4'-dien-1'-yl)-N-methylbenzamide
SpectraBase Compound ID 90vwjNev0lp
InChI InChI=1S/C16H21NO/c1-13(2)16(3,4)11-12-17(5)15(18)14-9-7-6-8-10-14/h6-12H,1H2,2-5H3/b12-11+
InChIKey CJRXPXTXFOXXAY-VAWYXSNFSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 301wWSwI66M
Name N-(3',3',4'-Trimethylpenta-1',4'-dien-1'-yl)-N-methylbenzamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 243.162314299 u
Formula C16H21NO
InChI InChI=1S/C16H21NO/c1-13(2)16(3,4)11-12-17(5)15(18)14-9-7-6-8-10-14/h6-12H,1H2,2-5H3/b12-11+
InChIKey CJRXPXTXFOXXAY-VAWYXSNFSA-N
Molecular Weight 243.350 g/mol
SMILES C(N(\C=C\C(C(=C)C)(C)C)C)(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969164