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3H-[1,2,3]Triazolo[5,1-a]isoindole-3-carboxylic acid, 6-chloro-3a,8-dihydro-, ethyl ester
SpectraBase Compound ID CMkjqjcwpB4
InChI InChI=1S/C12H12ClN3O2/c1-2-18-12(17)10-11-9-4-3-8(13)5-7(9)6-16(11)15-14-10/h3-5,10-11H,2,6H2,1H3
InChIKey XRDDRSUDXDKTKG-UHFFFAOYSA-N
Mol Weight 265.7 g/mol
Molecular Formula C12H12ClN3O2
Exact Mass 265.061804 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNe1FAHVbM7
Name 3H-[1,2,3]Triazolo[5,1-a]isoindole-3-carboxylic acid, 6-chloro-3a,8-dihydro-, ethyl ester
CAS Registry Number 100606-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN3O2
InChI InChI=1S/C12H12ClN3O2/c1-2-18-12(17)10-11-9-4-3-8(13)5-7(9)6-16(11)15-14-10/h3-5,10-11H,2,6H2,1H3
InChIKey XRDDRSUDXDKTKG-UHFFFAOYSA-N
Molecular Weight 265.700 g/mol
SMILES C1(N=NN2C1c1ccc(cc1C2)Cl)C(=O)OCC
SPLASH splash10-0ik9-0920000000-e74f9bf171192b0f0510
Source of Spectrum J-51-1123-6
Synonyms 3-(ethoxycarbonyl)-6-chlor-3,3a-dihydro-8H-[1,2,3]triazolo[5,1-a]isoindole Ethyl 6-chloro-3a,8-dihydro-3H-[1,2,3]triazolo[5,1-a]isoindole-3-carboxylate
Wiley ID 1268775