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trans-2,3-Dihydro-3-(4H-1,2,4-triazol-4-yl)-2-methyl-4H-1-benzopyran-4-one
SpectraBase Compound ID EjaLjHCZJqe
InChI InChI=1S/C12H11N3O2/c1-8-11(15-6-13-14-7-15)12(16)9-4-2-3-5-10(9)17-8/h2-8,11H,1H3/t8-,11-/m0/s1
InChIKey CXYPRKCHQDOSFQ-KWQFWETISA-N
Mol Weight 229.24 g/mol
Molecular Formula C12H11N3O2
Exact Mass 229.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C810t7kDIGl
Name trans-2,3-Dihydro-3-(4H-1,2,4-triazol-4-yl)-2-methyl-4H-1-benzopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O2
InChI InChI=1S/C12H11N3O2/c1-8-11(15-6-13-14-7-15)12(16)9-4-2-3-5-10(9)17-8/h2-8,11H,1H3/t8-,11-/m0/s1
InChIKey CXYPRKCHQDOSFQ-KWQFWETISA-N
Molecular Weight 229.239 g/mol
SMILES C1([C@@]([n]2cnnc2)([C@](C)(Oc2c1cccc2)[H])[H])=O
SPLASH splash10-00fu-6890000000-b5352f23c4aa989de298
Source of Spectrum KC-61-2652-6
Synonyms (2S,3S)-2-methyl-3-(4H-1,2,4-triazol-4-yl)-2,3-dihydro-4H-chromen-4-one
Wiley ID 1628131