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4-Nitrobenzoic acid (2S*,3S*)-4-methylene-5-oxo-2-pentyltetrahydrofuran-3-yl methyl ester
SpectraBase Compound ID 94VP911ZxCA
InChI InChI=1S/C18H21NO6/c1-3-4-5-6-16-15(12(2)17(20)25-16)11-24-18(21)13-7-9-14(10-8-13)19(22)23/h7-10,15-16H,2-6,11H2,1H3/t15-,16+/m1/s1
InChIKey PNFIWWFYDTXGDU-CVEARBPZSA-N
Mol Weight 347.37 g/mol
Molecular Formula C18H21NO6
Exact Mass 347.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Gi0oltIfrR
Name 4-Nitrobenzoic acid (2S*,3S*)-4-methylene-5-oxo-2-pentyltetrahydrofuran-3-yl methyl ester
Alternate Name(s) [(2S,3S)-4-methylene-5-oxo-2-pentyltetrahydro-3-furanyl]methyl 4-nitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21NO6
InChI InChI=1S/C18H21NO6/c1-3-4-5-6-16-15(12(2)17(20)25-16)11-24-18(21)13-7-9-14(10-8-13)19(22)23/h7-10,15-16H,2-6,11H2,1H3/t15-,16+/m1/s1
InChIKey PNFIWWFYDTXGDU-CVEARBPZSA-N
Molecular Weight 347.367 g/mol
SMILES C1(C([C@@](COC(c2ccc(N(=O)=O)cc2)=O)([C@@](O1)(CCCCC)[H])[H])=C)=O
SPLASH splash10-0udi-0900000000-54bf2921adf96ccdf76e
Source of Spectrum KC-61-2719-25
Wiley ID 1628196