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trans-3,4-Dihydro-6-nitro-2-methyl-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-ol
SpectraBase Compound ID 2FV5ibJfw3I
InChI InChI=1S/C14H18N2O4/c1-9-14(17)13(15-6-2-3-7-15)11-8-10(16(18)19)4-5-12(11)20-9/h4-5,8-9,13-14,17H,2-3,6-7H2,1H3/t9-,13?,14-/m0/s1
InChIKey CZIVXERTWPRKCM-NCMRHJMASA-N
Mol Weight 278.31 g/mol
Molecular Formula C14H18N2O4
Exact Mass 278.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FV4DE7ndNsZ
Name trans-3,4-Dihydro-6-nitro-2-methyl-4-(pyrrolidin-1-yl)-2H-1-benzopyran-3-ol
Alternate Name(s) (2S,3R)-2-methyl-6-nitro-4-(1-pyrrolidinyl)-3,4-dihydro-2H-chromen-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2O4
InChI InChI=1S/C14H18N2O4/c1-9-14(17)13(15-6-2-3-7-15)11-8-10(16(18)19)4-5-12(11)20-9/h4-5,8-9,13-14,17H,2-3,6-7H2,1H3/t9-,13?,14-/m0/s1
InChIKey CZIVXERTWPRKCM-NCMRHJMASA-N
Molecular Weight 278.308 g/mol
SMILES O[C@@]1(C(c2c(O[C@]1(C)[H])ccc(N(=O)=O)c2)N1CCCC1)[H]
SPLASH splash10-00di-5290000000-aa6745aabaa63d19a215
Source of Spectrum O-20-443-49
Wiley ID 1281791