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rei-(4(R,S)-1'R,3'S)-4-(3'-Hydroxy-1'-methylbutoxy)-4-(4''-nitrohenyl)-1-butene isomer
SpectraBase Compound ID 7XQy0LKwr9D
InChI InChI=1S/C15H21NO4/c1-4-5-15(20-12(3)10-11(2)17)13-6-8-14(9-7-13)16(18)19/h4,6-9,11-12,15,17H,1,5,10H2,2-3H3/t11-,12+,15?/m0/s1
InChIKey BEOAOHVCRRTFDQ-VPUIJTBTSA-N
Mol Weight 279.34 g/mol
Molecular Formula C15H21NO4
Exact Mass 279.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXACOP7A6H7
Name rei-(4(R,S)-1'R,3'S)-4-(3'-Hydroxy-1'-methylbutoxy)-4-(4''-nitrohenyl)-1-butene isomer
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Formula C15H21NO4
InChI InChI=1S/C15H21NO4/c1-4-5-15(20-12(3)10-11(2)17)13-6-8-14(9-7-13)16(18)19/h4,6-9,11-12,15,17H,1,5,10H2,2-3H3/t11-,12+,15?/m0/s1
InChIKey BEOAOHVCRRTFDQ-VPUIJTBTSA-N
Molecular Weight 279.336 g/mol
SMILES O[C@](C[C@](OC(c1ccc(N(=O)=O)cc1)CC=C)(C)[H])(C)[H]
SPLASH splash10-0fr2-9200000000-0bdc070ec246b687cfa1
Source of Spectrum C-113-8108-2
Synonyms rei-(4(R,S)-1'R,3'S)-4-(3'-Hydroxy-1'-methylbutoxy)-4-(4''-nitrohenyl)-1-butene (2S,4R)-4-{[1-(4-nitrophenyl)-3-butenyl]oxy}-2-pentanol Rei-(4(R,S)-1'r,3'S)-4-(3'-hydroxy-1'-methylbutoxy)-4-(4''-nitrohenyl)-1-butene Rei-(4(R,S)-1'r,3'S)-4-(3'-hydroxy-1'-methylbutoxy)-4-(4''-nitrohenyl)-1-butene isomer
Wiley ID 1282955