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(2S)-N-(4-Benzyloxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxyaldehyde dimethyl acetal
SpectraBase Compound ID FDxSMmw3Pd
InChI InChI=1S/C22H26N2O7/c1-28-19-12-16(21(25)23-11-7-10-17(23)22(29-2)30-3)18(24(26)27)13-20(19)31-14-15-8-5-4-6-9-15/h4-6,8-9,12-13,17,22H,7,10-11,14H2,1-3H3/t17-/m0/s1
InChIKey LTTDWOFZSXOQCQ-KRWDZBQOSA-N
Mol Weight 430.46 g/mol
Molecular Formula C22H26N2O7
Exact Mass 430.174001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LoS7Vn4EwW0
Name (2S)-N-(4-Benzyloxy-5-methoxy-2-nitrobenzoyl)pyrrolidine-2-carboxyaldehyde dimethyl acetal
Comments Less than 3 mono-isotopic peaks
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Formula C22H26N2O7
InChI InChI=1S/C22H26N2O7/c1-28-19-12-16(21(25)23-11-7-10-17(23)22(29-2)30-3)18(24(26)27)13-20(19)31-14-15-8-5-4-6-9-15/h4-6,8-9,12-13,17,22H,7,10-11,14H2,1-3H3/t17-/m0/s1
InChIKey LTTDWOFZSXOQCQ-KRWDZBQOSA-N
Molecular Weight 430.457 g/mol
SMILES c1(C(N2[C@](C(OC)OC)(CCC2)[H])=O)c(N(=O)=O)cc(c(c1)OC)OCc1ccccc1
SPLASH splash10-001i-9000000000-b7b5c6d95de4a06731c4
Source of Spectrum F-48-755-8
Synonyms (2S)-1-[4-(benzyloxy)-5-methoxy-2-nitrobenzoyl]-2-(dimethoxymethyl)pyrrolidine
Wiley ID 1381468