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(3R,4S)-2,2-Dimethyl-6-nitro-4-((tetrahydrofuran-2-yl)methylamino)chroman-3-ol
SpectraBase Compound ID 1vO7XcFAkRY
InChI InChI=1S/C16H22N2O5/c1-16(2)15(19)14(17-9-11-4-3-7-22-11)12-8-10(18(20)21)5-6-13(12)23-16/h5-6,8,11,14-15,17,19H,3-4,7,9H2,1-2H3/t11?,14-,15+/m0/s1
InChIKey NUUWZBSGAAUOJU-YUIIUQSRSA-N
Mol Weight 322.36 g/mol
Molecular Formula C16H22N2O5
Exact Mass 322.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3iEM4djIWw
Name (3R,4S)-2,2-Dimethyl-6-nitro-4-((tetrahydrofuran-2-yl)methylamino)chroman-3-ol
Alternate Name(s) (3R,4S)-2,2-dimethyl-6-nitro-4-(((tetrahydrofuran-2-yl)methyl)amino)chroman-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O5
InChI InChI=1S/C16H22N2O5/c1-16(2)15(19)14(17-9-11-4-3-7-22-11)12-8-10(18(20)21)5-6-13(12)23-16/h5-6,8,11,14-15,17,19H,3-4,7,9H2,1-2H3/t11?,14-,15+/m0/s1
InChIKey NUUWZBSGAAUOJU-YUIIUQSRSA-N
Molecular Weight 322.361 g/mol
SMILES O[C@]1(C(Oc2c([C@@]1(NCC1OCCC1)[H])cc(cc2)N(=O)=O)(C)C)[H]
SPLASH splash10-0ul0-3490000000-89b6faff376cad6c1a27
Source of Spectrum QC-23-1036-8d
Wiley ID 1738819