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(-)-(R)-4-Bromo-benzoic acid-1-methyl-2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester
SpectraBase Compound ID FhBbPTDDz0s
InChI InChI=1S/C14H14BrN3O4/c1-9(8-17-10(2)16-7-13(17)18(20)21)22-14(19)11-3-5-12(15)6-4-11/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKey WWQRVESOAOSCJL-SECBINFHSA-N
Mol Weight 368.19 g/mol
Molecular Formula C14H14BrN3O4
Exact Mass 367.016769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K23cvCSYAvV
Name (-)-(R)-4-Bromo-benzoic acid-1-methyl-2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester
Alternate Name(s) (R)-1-(2-methyl-5-nitro-1H-imidazol-1-yl)propan-2-yl 4-bromobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14BrN3O4
InChI InChI=1S/C14H14BrN3O4/c1-9(8-17-10(2)16-7-13(17)18(20)21)22-14(19)11-3-5-12(15)6-4-11/h3-7,9H,8H2,1-2H3/t9-/m1/s1
InChIKey WWQRVESOAOSCJL-SECBINFHSA-N
Literature Reference DOI 10.1002/cjoc.20030210727
Molecular Weight 368.187 g/mol
SMILES c1([n](c(cn1)[N+](=O)[O-])C[C@](OC(c1ccc(cc1)Br)=O)(C)[H])C
SPLASH splash10-001r-1901000000-1fff16491a4b8de31659
Source of Spectrum CJC-21-856-(_)_(R)_5
Wiley ID 1773775