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4-[2-(3,4-Diethoxy-phenyl)-ethylamino]-1-oxa-spiro[4.5]dec-3-en-2-one
SpectraBase Compound ID AoWnw5i1B0i
InChI InChI=1S/C21H29NO4/c1-3-24-17-9-8-16(14-18(17)25-4-2)10-13-22-19-15-20(23)26-21(19)11-6-5-7-12-21/h8-9,14-15,22H,3-7,10-13H2,1-2H3
InChIKey JYCLYPJKMQYQMJ-UHFFFAOYSA-N
Mol Weight 359.47 g/mol
Molecular Formula C21H29NO4
Exact Mass 359.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVuWiWUKgkE
Name 4-[2-(3,4-Diethoxy-phenyl)-ethylamino]-1-oxa-spiro[4.5]dec-3-en-2-one
Comments Computed using HOSE algorithm
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Exact Mass 359.209658414 u
Formula C21H29NO4
InChI InChI=1S/C21H29NO4/c1-3-24-17-9-8-16(14-18(17)25-4-2)10-13-22-19-15-20(23)26-21(19)11-6-5-7-12-21/h8-9,14-15,22H,3-7,10-13H2,1-2H3
InChIKey JYCLYPJKMQYQMJ-UHFFFAOYSA-N
Molecular Weight 359.466 g/mol
SMILES C1=C(C2(CCCCC2)OC1=O)NCCC=1C=C(OCC)C(=CC1)OCC