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3,7-Dimethyloct-6-en-1-yn-3-yl 4'-nitrobenzoate
SpectraBase Compound ID 6KkiTP1lyfl
InChI InChI=1S/C17H19NO4/c1-5-17(4,12-6-7-13(2)3)22-16(19)14-8-10-15(11-9-14)18(20)21/h1,7-11H,6,12H2,2-4H3
InChIKey DAPYWDAAEAKIJI-UHFFFAOYSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ProKlWfgMk
Name 3,7-Dimethyloct-6-en-1-yn-3-yl 4'-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-5-17(4,12-6-7-13(2)3)22-16(19)14-8-10-15(11-9-14)18(20)21/h1,7-11H,6,12H2,2-4H3
InChIKey DAPYWDAAEAKIJI-UHFFFAOYSA-N
Molecular Weight 301.342 g/mol
SMILES c1(N(=O)=O)ccc(C(OC(C#C)(CCC=C(C)C)C)=O)cc1
SPLASH splash10-0gbc-4900000000-3e7a5dd9e9d4ae94adae
Source of Spectrum KC-61-4798-5
Synonyms 1-Ethynyl-1,5-dimethyl-4-hexenyl 4-nitrobenzoate
Wiley ID 1629151