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3H-[1,2,3]Triazolo[5,1-a]isoindole-3-carboxylic acid, 3a,8-dihydro-6-methoxy-, ethyl ester
SpectraBase Compound ID Kx1FWRu2Usz
InChI InChI=1S/C13H15N3O3/c1-3-19-13(17)11-12-10-5-4-9(18-2)6-8(10)7-16(12)15-14-11/h4-6,11-12H,3,7H2,1-2H3
InChIKey NCAKLZKUWWMKTH-UHFFFAOYSA-N
Mol Weight 261.28 g/mol
Molecular Formula C13H15N3O3
Exact Mass 261.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iV4xlSG2ra
Name 3H-[1,2,3]Triazolo[5,1-a]isoindole-3-carboxylic acid, 3a,8-dihydro-6-methoxy-, ethyl ester
Alternate Name(s) 3-(ethoxycarbonyl)-6-methoxy-3,3a-dihydro-8H-[1,2,3]triazolo[5,1-a]isoindole Ethyl 6-methoxy-3a,8-dihydro-3H-[1,2,3]triazolo[5,1-a]isoindole-3-carboxylate
CAS Registry Number 100606-47-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N3O3
InChI InChI=1S/C13H15N3O3/c1-3-19-13(17)11-12-10-5-4-9(18-2)6-8(10)7-16(12)15-14-11/h4-6,11-12H,3,7H2,1-2H3
InChIKey NCAKLZKUWWMKTH-UHFFFAOYSA-N
Molecular Weight 261.281 g/mol
SMILES C1(N=NN2C1c1ccc(cc1C2)OC)C(=O)OCC
SPLASH splash10-01pk-0930000000-146a48c9623bdcb3af50
Source of Spectrum J-51-1123-6
Wiley ID 1264647