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Tert-Butyl-(S)-3-[4-(benzyloxy)phenoxy]-2-hydroxypropyl-4-nitrophenethylcarbamate
SpectraBase Compound ID ItOkJtEf4PP
InChI InChI=1S/C29H34N2O7/c1-29(2,3)38-28(33)30(18-17-22-9-11-24(12-10-22)31(34)35)19-25(32)21-37-27-15-13-26(14-16-27)36-20-23-7-5-4-6-8-23/h4-16,25,32H,17-21H2,1-3H3/t25-/m0/s1
InChIKey DABZSWNXXFXOJR-VWLOTQADSA-N
Mol Weight 522.6 g/mol
Molecular Formula C29H34N2O7
Exact Mass 522.236601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rK6PeBymN0
Name Tert-Butyl-(S)-3-[4-(benzyloxy)phenoxy]-2-hydroxypropyl-4-nitrophenethylcarbamate
Alternate Name(s) (S)-tert-butyl (3-(4-(benzyloxy)phenoxy)-2-hydroxypropyl)(4-nitrophenethyl)carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H34N2O7
InChI InChI=1S/C29H34N2O7/c1-29(2,3)38-28(33)30(18-17-22-9-11-24(12-10-22)31(34)35)19-25(32)21-37-27-15-13-26(14-16-27)36-20-23-7-5-4-6-8-23/h4-16,25,32H,17-21H2,1-3H3/t25-/m0/s1
InChIKey DABZSWNXXFXOJR-VWLOTQADSA-N
Literature Reference DOI 10.1002/cmdc.200900292
Molecular Weight 522.598 g/mol
SMILES O[C@@](CN(CCc1ccc(cc1)[N+](=O)[O-])C(=O)OC(C)(C)C)(COc1ccc(cc1)OCc1ccccc1)[H]
SPLASH splash10-0006-9130100000-27b905553058e887f80f
Source of Spectrum CMC-4-2088-2
Wiley ID 1771559