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(R)-1-Propylbut-2-ynyl 4-nitrobenzoate
SpectraBase Compound ID AmJapHWTJ2Z
InChI InChI=1S/C14H15NO4/c1-3-5-13(6-4-2)19-14(16)11-7-9-12(10-8-11)15(17)18/h7-10,13H,3,5H2,1-2H3/t13-/m1/s1
InChIKey BXDCMIRAVMQDNG-CYBMUJFWSA-N
Mol Weight 261.28 g/mol
Molecular Formula C14H15NO4
Exact Mass 261.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9R6w823Sy6
Name (R)-1-Propylbut-2-ynyl 4-nitrobenzoate
Alternate Name(s) (R)-hept-2-yn-4-yl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO4
InChI InChI=1S/C14H15NO4/c1-3-5-13(6-4-2)19-14(16)11-7-9-12(10-8-11)15(17)18/h7-10,13H,3,5H2,1-2H3/t13-/m1/s1
InChIKey BXDCMIRAVMQDNG-CYBMUJFWSA-N
Literature Reference DOI 10.1021/ol801708x
Molecular Weight 261.277 g/mol
SMILES C([C@@](CCC)(OC(=O)c1ccc(cc1)[N+]([O-])=O)[H])#CC
SPLASH splash10-0udi-4920000000-b8cee53d34d1727b565c
Source of Spectrum A1-10-4489/SMS19-30
Wiley ID 1759851