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3,3a,4,5,6,6a-hexahydro-3a-methoxy-4-methyl-3-(4-nitrophenyl)pyrrolo[2,3-d]-1,2,3-triazol
SpectraBase Compound ID HTtZPLoTN9V
InChI InChI=1S/C12H15N5O3/c1-15-8-7-11-12(15,20-2)16(14-13-11)9-3-5-10(6-4-9)17(18)19/h3-6,11H,7-8H2,1-2H3
InChIKey WATNNRQYBNEEDK-UHFFFAOYSA-N
Mol Weight 277.28 g/mol
Molecular Formula C12H15N5O3
Exact Mass 277.117489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HBOqqDoWflW
Name 3,3a,4,5,6,6a-hexahydro-3a-methoxy-4-methyl-3-(4-nitrophenyl)pyrrolo[2,3-d]-1,2,3-triazol
Alternate Name(s) 3a-methoxy-4-methyl-3-(4-nitrophenyl)-3,3a,4,5,6,6a-hexahydropyrrolo[2,3-d][1,2,3]triazole Methyl 4-methyl-3-(4-nitrophenyl)-4,5,6,6a-tetrahydropyrrolo[2,3-d][1,2,3]triazol-3a(3H)-yl ether
CAS Registry Number 104739-36-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15N5O3
InChI InChI=1S/C12H15N5O3/c1-15-8-7-11-12(15,20-2)16(14-13-11)9-3-5-10(6-4-9)17(18)19/h3-6,11H,7-8H2,1-2H3
InChIKey WATNNRQYBNEEDK-UHFFFAOYSA-N
Molecular Weight 277.284 g/mol
SMILES C12(N(N=NC2CCN1C)c1ccc(N(=O)=O)cc1)OC
SPLASH splash10-03di-0900000000-ea0ca2d429de5d3439e1
Source of Spectrum K-119-3596-7
Wiley ID 1280815