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N-(Benzyloxycarbonyl)-3-[1,2-didehydro-2-(ethoxycarbonyl)ethyl]-2,2-di([(2)H3]methyl)-4,4-dimethylpyrrolodine
SpectraBase Compound ID 79wCF823DmF
InChI InChI=1S/C21H29NO4/c1-6-25-18(23)13-12-17-20(2,3)15-22(21(17,4)5)19(24)26-14-16-10-8-7-9-11-16/h7-13,17H,6,14-15H2,1-5H3/b13-12+/i4D3,5D3
InChIKey RUHXOPDHRGJJRB-JALYOXLRSA-N
Mol Weight 365.5 g/mol
Molecular Formula C21H232D6NO4
Exact Mass 365.247319 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EG76vv0vOp
Name N-(Benzyloxycarbonyl)-3-[1,2-didehydro-2-(ethoxycarbonyl)ethyl]-2,2-di([(2)H3]methyl)-4,4-dimethylpyrrolodine
CAS Registry Number 139461-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23D6NO4
InChI InChI=1S/C21H29NO4/c1-6-25-18(23)13-12-17-20(2,3)15-22(21(17,4)5)19(24)26-14-16-10-8-7-9-11-16/h7-13,17H,6,14-15H2,1-5H3/b13-12+/i4D3,5D3
InChIKey RUHXOPDHRGJJRB-JALYOXLRSA-N
Molecular Weight 365.503 g/mol
SMILES C1(N(CC(C1\C=C\C(=O)OCC)(C)C)C(OCc1ccccc1)=O)(C([2D])([2D])[2D])C([2D])([2D])[2D]
SPLASH splash10-004l-9330000000-c1d56e175d8c7e6504f9
Source of Spectrum J-57-2301-5
Wiley ID 1347832