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2,6-Ditert-butyl-4-methoxyphenyl 4-([1-(3,4-dimethoxybenzyl)-2-ethoxy-1-methyl-2-oxoethyl]amino)-2-nitrobutanoate
SpectraBase Compound ID 82CqvtScvca
InChI InChI=1S/C33H48N2O9/c1-12-43-30(37)33(8,20-21-13-14-26(41-10)27(17-21)42-11)34-16-15-25(35(38)39)29(36)44-28-23(31(2,3)4)18-22(40-9)19-24(28)32(5,6)7/h13-14,17-19,25,34H,12,15-16,20H2,1-11H3
InChIKey ZXNDCWNABGVTOH-UHFFFAOYSA-N
Mol Weight 616.8 g/mol
Molecular Formula C33H48N2O9
Exact Mass 616.335981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxzcYFUN5x2
Name L-TYROSINE, N-[4-[2,6-BIS(1,1-DIMETHYLETHYL)-4-METHOXYPHENOXY]-3-NITRO-4-OXOBUTYL]-3-METHOXY-O,alpha-DIMETHYL-, ETHYL ESTER, (S)-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H48N2O9
InChI InChI=1S/C33H48N2O9/c1-12-43-30(37)33(8,20-21-13-14-26(41-10)27(17-21)42-11)34-16-15-25(35(38)39)29(36)44-28-23(31(2,3)4)18-22(40-9)19-24(28)32(5,6)7/h13-14,17-19,25,34H,12,15-16,20H2,1-11H3
InChIKey ZXNDCWNABGVTOH-UHFFFAOYSA-N
Molecular Weight 616.3347
SMILES N(CCC(C(Oc1c(C(C)(C)C)cc(OC)cc1C(C)(C)C)=O)N(=O)=O)C(C(OCC)=O)(C)Cc1ccc(OC)c(OC)c1
SPLASH splash10-0pvi-5920100000-b3c3ce009bf67b69f578
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany