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2,1-Benzisoxazole-7-carboxamide, 1,3-dihydro-1-methyl-N-octadecyl-3-oxo-
SpectraBase Compound ID FJVFkK5dKXQ
InChI InChI=1S/C27H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-26(30)23-20-19-21-24-25(23)29(2)32-27(24)31/h19-21H,3-18,22H2,1-2H3,(H,28,30)
InChIKey NPSQVBMWJLHVBM-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C27H44N2O3
Exact Mass 444.335193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0xiPNCRPUG
Name 2,1-Benzisoxazole-7-carboxamide, 1,3-dihydro-1-methyl-N-octadecyl-3-oxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44N2O3
InChI InChI=1S/C27H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-26(30)23-20-19-21-24-25(23)29(2)32-27(24)31/h19-21H,3-18,22H2,1-2H3,(H,28,30)
InChIKey NPSQVBMWJLHVBM-UHFFFAOYSA-N
Molecular Weight 444.660 g/mol
SMILES N(C(=O)c1cccc2C(=O)ON(C)c12)CCCCCCCCCCCCCCCCCC
SPLASH splash10-00c3-9620000000-bf05d428caadb58df914
Source of Spectrum JX-2015-4-543
Synonyms 1-Methyl-N-octadecyl-3-oxo-1,3-dihydrobenzo[c]isoxazole-7-carboxamide 1-Methyl-N-octadecyl-3-oxo-1,3-dihydro-2,1-benzoxazole-7-carboxamide 1-Methyl-N-octadecyl-3-oxo-2,1-benzoxazole-7-carboxamide 1-Methyl-N-octadecyl-3-oxidanylidene-2,1-benzoxazole-7-carboxamide
Wiley ID 1725975