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Methyl syn/anti-4-(ethoxycarbonyl)-4-nitro-3-(tosylmethyl)butanoate
SpectraBase Compound ID 4hLcXtrC22k
InChI InChI=1S/C16H21NO8S/c1-4-25-16(19)15(17(20)21)12(9-14(18)24-3)10-26(22,23)13-7-5-11(2)6-8-13/h5-8,12,15H,4,9-10H2,1-3H3
InChIKey HDUFMLLZEAFDIH-UHFFFAOYSA-N
Mol Weight 387.4 g/mol
Molecular Formula C16H21NO8S
Exact Mass 387.098788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZoqTQqKny2
Name Methyl syn/anti-4-(ethoxycarbonyl)-4-nitro-3-(tosylmethyl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO8S
InChI InChI=1S/C16H21NO8S/c1-4-25-16(19)15(17(20)21)12(9-14(18)24-3)10-26(22,23)13-7-5-11(2)6-8-13/h5-8,12,15H,4,9-10H2,1-3H3
InChIKey HDUFMLLZEAFDIH-UHFFFAOYSA-N
Molecular Weight 387.403 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C(C(N(=O)=O)C(=O)OCC)CC(=O)OC
SPLASH splash10-0006-9200000000-1de176bbedac2bba07a8
Source of Spectrum F-52-15254-16
Synonyms Methyl syn/anti-4-(Ethoxycarbonyl)-4-nitro-3-(tosylmethyl)-butanoate 1-Ethyl 5-methyl 3-{[(4-methylphenyl)sulfonyl]methyl}-2-nitropentanedioate
Wiley ID 799682