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1-[(2R-Hydroxycarbonyl-3-phenyl)propyl]-4-phenyl-1H-1,2,3-triazole

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-[(2R-Hydroxycarbonyl-3-phenyl)propyl]-4-phenyl-1H-1,2,3-triazole
SpectraBase Compound ID GctuZleGSS2
InChI InChI=1S/C18H17N3O2/c22-18(23)16(11-14-7-3-1-4-8-14)12-21-13-17(19-20-21)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,22,23)/t16-/m1/s1
InChIKey NGMQBVDNRRLZMA-MRXNPFEDSA-N
Mol Weight 307.35 g/mol
Molecular Formula C18H17N3O2
Exact Mass 307.132077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LG6enV8ZW5Y
Name 1-[(2R-Hydroxycarbonyl-3-phenyl)propyl]-4-phenyl-1H-1,2,3-triazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.132076797 u
Formula C18H17N3O2
InChI InChI=1S/C18H17N3O2/c22-18(23)16(11-14-7-3-1-4-8-14)12-21-13-17(19-20-21)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,22,23)/t16-/m1/s1
InChIKey NGMQBVDNRRLZMA-MRXNPFEDSA-N
Molecular Weight 307.353 g/mol
SMILES C=1(N=NN(C1)C[C@](C(=O)O)(CC1=CC=CC=C1)[H])C1=CC=CC=C1