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(2R,3S,4R)-3-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4-(phenylmethyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester
SpectraBase Compound ID B5Tdam2ggCW
InChI InChI=1S/C26H37NO8/c1-7-32-22(28)20(23(29)33-8-2)19-18(15-17-13-11-10-12-14-17)16-27(21(19)24(30)34-9-3)25(31)35-26(4,5)6/h10-14,18-21H,7-9,15-16H2,1-6H3/t18-,19-,21+/m0/s1
InChIKey XPGCPHRJWQCHAO-IRFCIJBXSA-N
Mol Weight 491.6 g/mol
Molecular Formula C26H37NO8
Exact Mass 491.251917 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL9M6CUz0b7
Name (2R,3S,4R)-3-(1,3-diethoxy-1,3-dioxopropan-2-yl)-4-(phenylmethyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester
Alternate Name(s) (2R,3S,4R)-4-benzyl-3-(1-carbethoxy-2-ethoxy-2-keto-ethyl)pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester 1-O-tert-butyl 2-O-ethyl (2R,3S,4R)-4-benzyl-3-(1,3-diethoxy-1,3-dioxopropan-2-yl)pyrrolidine-1,2-dicarboxylate O1-tert-butyl O2-ethyl (2R,3S,4R)-3-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]-4-(phenylmethyl)pyrrolidine-1,2-dicarboxylate O1-tert-butyl O2-ethyl (2R,3S,4R)-4-benzyl-3-(2-ethoxy-1-ethoxycarbonyl-2-oxo-ethyl)pyrrolidine-1,2-dicarboxylate
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Formula C26H37NO8
InChI InChI=1S/C26H37NO8/c1-7-32-22(28)20(23(29)33-8-2)19-18(15-17-13-11-10-12-14-17)16-27(21(19)24(30)34-9-3)25(31)35-26(4,5)6/h10-14,18-21H,7-9,15-16H2,1-6H3/t18-,19-,21+/m0/s1
InChIKey XPGCPHRJWQCHAO-IRFCIJBXSA-N
Molecular Weight 491.581 g/mol
SMILES [C@@]1(N(C[C@@]([C@]1(C(C(=O)OCC)C(=O)OCC)[H])(Cc1ccccc1)[H])C(OC(C)(C)C)=O)(C(=O)OCC)[H]
SPLASH splash10-0aou-9203000000-9c53ab38520628753a2a
Source of Spectrum QC-7-2619-16
Wiley ID 869433