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2-(Fluorenyl-9-methoxycarbonyl-.alpha.glycyl)amino-5-cyano-6-tert-butyl-4-thioxo-4H-pyran-3-ylphosphonic acid diethyl ester
SpectraBase Compound ID Lg4mzeHiO7T
InChI InChI=1S/C31H34N3O7PS/c1-6-39-42(37,40-7-2)26-27(43)23(16-32)28(31(3,4)5)41-29(26)34-25(35)17-33-30(36)38-18-24-21-14-10-8-12-19(21)20-13-9-11-15-22(20)24/h8-15,24H,6-7,17-18H2,1-5H3,(H,33,36)(H,34,35)
InChIKey HSCBAXUUSHSVBC-UHFFFAOYSA-N
Mol Weight 623.7 g/mol
Molecular Formula C31H34N3O7PS
Exact Mass 623.185509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58og7JMvCK
Name 2-(Fluorenyl-9-methoxycarbonyl-.alpha.glycyl)amino-5-cyano-6-tert-butyl-4-thioxo-4H-pyran-3-ylphosphonic acid diethyl ester
Alternate Name(s) N-[2-[(6-tert-butyl-5-cyano-3-diethoxyphosphoryl-4-sulfanylidene-2-pyranyl)amino]-2-oxoethyl]carbamic acid 9H-fluoren-9-ylmethyl ester 9H-fluoren-9-ylmethyl N-[2-[(6-tert-butyl-5-cyano-3-diethoxyphosphoryl-4-sulfanylidenepyran-2-yl)amino]-2-oxoethyl]carbamate 9H-fluoren-9-ylmethyl N-[2-[(6-tert-butyl-5-cyano-3-diethoxyphosphoryl-4-thioxo-pyran-2-yl)amino]-2-oxo-ethyl]carbamate 9H-fluoren-9-ylmethyl N-[2-[(6-tert-butyl-5-cyano-3-diethoxyphosphoryl-4-sulfanylidene-pyran-2-yl)amino]-2-oxidanylidene-ethyl]carbamate
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Formula C31H34N3O7PS
InChI InChI=1S/C31H34N3O7PS/c1-6-39-42(37,40-7-2)26-27(43)23(16-32)28(31(3,4)5)41-29(26)34-25(35)17-33-30(36)38-18-24-21-14-10-8-12-19(21)20-13-9-11-15-22(20)24/h8-15,24H,6-7,17-18H2,1-5H3,(H,33,36)(H,34,35)
InChIKey HSCBAXUUSHSVBC-UHFFFAOYSA-N
Molecular Weight 623.661 g/mol
SMILES N(C1=C(C(C(=C(C(C)(C)C)O1)C#N)=S)P(=O)(OCC)OCC)C(CNC(OCC1c2c(cccc2)-c2c1cccc2)=O)=O
SPLASH splash10-016r-1900000000-13def81b9ca965dcbeb1
Source of Spectrum H1-50-1052-12
Wiley ID 816946