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1H-Pyrrole-2-methanol, .alpha.,1-dimethyl-5-nitro-, acetate (ester)
SpectraBase Compound ID HsyAqVnGNjy
InChI InChI=1S/C9H12N2O4/c1-6(15-7(2)12)8-4-5-9(10(8)3)11(13)14/h4-6H,1-3H3
InChIKey BPOVRRWTJVHFEH-UHFFFAOYSA-N
Mol Weight 212.2 g/mol
Molecular Formula C9H12N2O4
Exact Mass 212.079707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D71L7hEGd2E
Name 1H-Pyrrole-2-methanol, .alpha.,1-dimethyl-5-nitro-, acetate (ester)
Alternate Name(s) 1-(1'-Methyl-5'-nitro-1'h-pyrrol-2'-yl)ethyl acetate 1-(1-Methyl-5-nitro-1H-pyrrol-2-yl)ethyl acetate
CAS Registry Number 115975-59-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2O4
InChI InChI=1S/C9H12N2O4/c1-6(15-7(2)12)8-4-5-9(10(8)3)11(13)14/h4-6H,1-3H3
InChIKey BPOVRRWTJVHFEH-UHFFFAOYSA-N
Molecular Weight 212.205 g/mol
SMILES c1([n](c(C(OC(=O)C)C)cc1)C)N(=O)=O
SPLASH splash10-0abc-6920000000-3ec288ed9a8691b2542d
Source of Spectrum B-40-2077-3
Wiley ID 1210891