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1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-thienylcarbonyl)piperazine

View entire compound with spectra: 2 NMR

1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-thienylcarbonyl)piperazine
SpectraBase Compound ID BifYCxpeEhr
InChI InChI=1S/C17H18N2O3S/c20-17(16-2-1-9-23-16)19-7-5-18(6-8-19)11-13-3-4-14-15(10-13)22-12-21-14/h1-4,9-10H,5-8,11-12H2
InChIKey BPUKGOGZLOIVQU-UHFFFAOYSA-N
Mol Weight 330.4 g/mol
Molecular Formula C17H18N2O3S
Exact Mass 330.103814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5luxh36EIsi
Name 1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-thienylcarbonyl)piperazine
Comments Computed using HOSE algorithm
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Exact Mass 330.103813619 u
Formula C17H18N2O3S
InChI InChI=1S/C17H18N2O3S/c20-17(16-2-1-9-23-16)19-7-5-18(6-8-19)11-13-3-4-14-15(10-13)22-12-21-14/h1-4,9-10H,5-8,11-12H2
InChIKey BPUKGOGZLOIVQU-UHFFFAOYSA-N
Molecular Weight 330.402 g/mol
SMILES C(N1CCN(CC1)CC1=CC=2OCOC2C=C1)(C=1SC=CC1)=O