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6-tert-Butoxycarbonyl-2,3a-dicinnamyl-3-oxo-3,3a,4,5,6,7-hexahydropyrazolo-2H-[3,4-c]pyridine
SpectraBase Compound ID EsQyqc91IGd
InChI InChI=1S/C29H33N3O3/c1-28(2,3)35-27(34)31-21-19-29(18-10-16-23-12-6-4-7-13-23)25(22-31)30-32(26(29)33)20-11-17-24-14-8-5-9-15-24/h4-17H,18-22H2,1-3H3/b16-10+,17-11+
InChIKey DPWDIQWUVNWYEM-OTYYAQKOSA-N
Mol Weight 471.6 g/mol
Molecular Formula C29H33N3O3
Exact Mass 471.252192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DogMoLQoK2n
Name 6-tert-Butoxycarbonyl-2,3a-dicinnamyl-3-oxo-3,3a,4,5,6,7-hexahydropyrazolo-2H-[3,4-c]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H33N3O3
InChI InChI=1S/C29H33N3O3/c1-28(2,3)35-27(34)31-21-19-29(18-10-16-23-12-6-4-7-13-23)25(22-31)30-32(26(29)33)20-11-17-24-14-8-5-9-15-24/h4-17H,18-22H2,1-3H3/b16-10+,17-11+
InChIKey DPWDIQWUVNWYEM-OTYYAQKOSA-N
Molecular Weight 471.601 g/mol
SMILES C12(C(=NN(C2=O)C\C=C\c2ccccc2)CN(C(OC(C)(C)C)=O)CC1)C\C=C\c1ccccc1
SPLASH splash10-014i-1900000000-4fb46bbcedc361b53585
Source of Spectrum F-50-524-14
Synonyms tert-Butyl 3-oxo-2,3a-bis[(2E)-3-phenyl-2-propenyl]-2,3,3a,4,5,7-hexahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate
Wiley ID 1393143