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6-BROMO-3-tert-BUTYL-6-(3-OXO-1-PHENYLBUTYL)-2-OXA-4-AZABICYCLO[3.1.0]HEXANE-4-CARBOXYLIC ACID, METHYL ESTER
SpectraBase Compound ID JxXIoKH7CIU
InChI InChI=1S/C16H18BrNO4.C4H10/c1-10(19)8-12(11-6-4-3-5-7-11)16(17)13-14(16)22-9-18(13)15(20)21-2;1-4(2)3/h3-7,12-14H,8-9H2,1-2H3;4H,1-3H3
InChIKey QJSXUZSPAKYWGT-UHFFFAOYSA-N
Mol Weight 426.35 g/mol
Molecular Formula C20H28BrNO4
Exact Mass 425.120171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 483vyUjngqo
Name 6-BROMO-3-tert-BUTYL-6-(3-OXO-1-PHENYLBUTYL)-2-OXA-4-AZABICYCLO[3.1.0]HEXANE-4-CARBOXYLIC ACID, METHYL ESTER
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Formula C20H26NO4Br
InChI InChI=1S/C16H18BrNO4.C4H10/c1-10(19)8-12(11-6-4-3-5-7-11)16(17)13-14(16)22-9-18(13)15(20)21-2;1-4(2)3/h3-7,12-14H,8-9H2,1-2H3;4H,1-3H3
InChIKey QJSXUZSPAKYWGT-UHFFFAOYSA-N
Molecular Weight 425.1194
SMILES C(C)(C)C.C(=O)(OC)N1COC2C(Br)(C(CC(C)=O)c3ccccc3)C12
SPLASH splash10-0a4l-7940000000-a86f06fdad7893f23c4e
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany