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4-(5-Benzo[1,3]dioxol-5-yl-4-butyl-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-benzoic acid methyl ester
SpectraBase Compound ID 4mTecPHLLTN
InChI InChI=1S/C21H22N2O5/c1-3-4-11-23-19(14-5-7-15(8-6-14)21(24)25-2)22-28-20(23)16-9-10-17-18(12-16)27-13-26-17/h5-10,12,20H,3-4,11,13H2,1-2H3
InChIKey IFXVSRAYHJINTG-UHFFFAOYSA-N
Mol Weight 382.42 g/mol
Molecular Formula C21H22N2O5
Exact Mass 382.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99UqGhSK8DR
Name 4-(5-Benzo[1,3]dioxol-5-yl-4-butyl-4,5-dihydro-[1,2,4]oxadiazol-3-yl)-benzoic acid methyl ester
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Formula C21H22N2O5
InChI InChI=1S/C21H22N2O5/c1-3-4-11-23-19(14-5-7-15(8-6-14)21(24)25-2)22-28-20(23)16-9-10-17-18(12-16)27-13-26-17/h5-10,12,20H,3-4,11,13H2,1-2H3
InChIKey IFXVSRAYHJINTG-UHFFFAOYSA-N
Molecular Weight 382.416 g/mol
SMILES C=1(N(C(ON1)c1cc2OCOc2cc1)CCCC)c1ccc(C(=O)OC)cc1
SPLASH splash10-03dm-9732000000-23b027dc65428c6bac42
Source of Spectrum C5-2003-1573-7
Synonyms 3-Acetylphenyl-4-(butyl)-5-(3,4-methylenedioxyphenyl)-1,2,4-oxadiazoline Methyl 4-[5-(1,3-benzodioxol-5-yl)-4-butyl-4,5-dihydro-1,2,4-oxadiazol-3-yl]benzoate
Wiley ID 1615661