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isopropyl (4aRS,7aRS)-1,2,3,4,4a,5-hexahydro-5,5-dimethyl-7-oxofurano[3,4-b]pyridine-7a(7H)-carboxylate
SpectraBase Compound ID 4x38D68ZnQp
InChI InChI=1S/C13H21NO4/c1-8(2)17-10(15)13-9(6-5-7-14-13)12(3,4)18-11(13)16/h8-9,14H,5-7H2,1-4H3
InChIKey KYALVFSGVTZJNT-UHFFFAOYSA-N
Mol Weight 255.31 g/mol
Molecular Formula C13H21NO4
Exact Mass 255.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jy5JSONZuiw
Name isopropyl (4aRS,7aRS)-1,2,3,4,4a,5-hexahydro-5,5-dimethyl-7-oxofurano[3,4-b]pyridine-7a(7H)-carboxylate
CAS Registry Number 119071-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO4
InChI InChI=1S/C13H21NO4/c1-8(2)17-10(15)13-9(6-5-7-14-13)12(3,4)18-11(13)16/h8-9,14H,5-7H2,1-4H3
InChIKey KYALVFSGVTZJNT-UHFFFAOYSA-N
Molecular Weight 255.314 g/mol
SMILES N1CCCC2C(OC(C12C(OC(C)C)=O)=O)(C)C
SPLASH splash10-02t9-3900000000-4605893def33e61ab9e9
Source of Spectrum K-122-1002-13
Synonyms isopropyl 5,5-dimethyl-7-oxohexahydrofuro[3,4-b]pyridine-7a(7H)-carboxylate 5,5-Dimethyl-7-oxo-2,3,4,4a-tetrahydro-1H-furo[3,4-b]pyridine-7a-carboxylic acid propan-2-yl ester Propan-2-yl 5,5-dimethyl-7-oxo-2,3,4,4a-tetrahydro-1H-furo[3,4-b]pyridine-7a-carboxylate isopropyl 5,5-dimethyl-7-oxo-2,3,4,4a-tetrahydro-1H-furo[3,4-b]pyridine-7a-carboxylate Propan-2-yl 5,5-dimethyl-7-oxidanylidene-2,3,4,4a-tetrahydro-1H-furo[3,4-b]pyridine-7a-carboxylate
Wiley ID 1258758