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1H-Pyrrolo[3,4-c]isoxazole, 6-(4-bromophenyl)-3,3a,4,6a-tetrahydro-1-methyl-, cis-
SpectraBase Compound ID 1gR8VlJDgVI
InChI InChI=1S/C12H13BrN2O/c1-15-12-9(7-16-15)6-14-11(12)8-2-4-10(13)5-3-8/h2-5,9,12H,6-7H2,1H3/t9-,12+/m1/s1
InChIKey ZAJAYTPAWWFSGE-SKDRFNHKSA-N
Mol Weight 281.15 g/mol
Molecular Formula C12H13BrN2O
Exact Mass 280.021126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1bGSPWs7zm2
Name 1H-Pyrrolo[3,4-c]isoxazole, 6-(4-bromophenyl)-3,3a,4,6a-tetrahydro-1-methyl-, cis-
Alternate Name(s) (3aS,6aS)-6-(4-bromophenyl)-1-methyl-3,3a,4,6a-tetrahydro-1H-pyrrolo[3,4-c]isoxazole 6-(p-bromophenyl)-1-methyl-3,3a,4,6a-tetrahydro-1H-pyrrolo(3,4-c)isoxazole
CAS Registry Number 68790-70-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13BrN2O
InChI InChI=1S/C12H13BrN2O/c1-15-12-9(7-16-15)6-14-11(12)8-2-4-10(13)5-3-8/h2-5,9,12H,6-7H2,1H3/t9-,12+/m1/s1
InChIKey ZAJAYTPAWWFSGE-SKDRFNHKSA-N
Molecular Weight 281.153 g/mol
SMILES C1(=NC[C@@]2(CON([C@]12[H])C)[H])c1ccc(cc1)Br
SPLASH splash10-014l-9020000000-a3294e6e0c949417dd37
Source of Spectrum B-31-2019-0
Wiley ID 1283457