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5-(2-Methylpropoxymethyl)-3-[(2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propyl]oxolan-2-one
SpectraBase Compound ID EMzOU6dQwFG
InChI InChI=1S/C21H27N3O3S/c1-14(2)11-26-12-18-10-17(20(25)27-18)9-15(3)23-24-21-22-19(13-28-21)16-7-5-4-6-8-16/h4-8,13-14,17-18H,9-12H2,1-3H3,(H,22,24)/b23-15+
InChIKey ORHYDDJLRVSJJL-HZHRSRAPSA-N
Mol Weight 401.53 g/mol
Molecular Formula C21H27N3O3S
Exact Mass 401.177313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfSmlD6aFVo
Name 5-(2-Methylpropoxymethyl)-3-[(2E)-2-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]propyl]oxolan-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.177312912 u
Formula C21H27N3O3S
InChI InChI=1S/C21H27N3O3S/c1-14(2)11-26-12-18-10-17(20(25)27-18)9-15(3)23-24-21-22-19(13-28-21)16-7-5-4-6-8-16/h4-8,13-14,17-18H,9-12H2,1-3H3,(H,22,24)/b23-15+
InChIKey ORHYDDJLRVSJJL-HZHRSRAPSA-N
Molecular Weight 401.525 g/mol
SMILES C1=CC=C(C=2N=C(SC2)N\N=C\(CC2C(OC(C2)COCC(C)C)=O)C)C=C1