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N-allyl-N-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-2-nitro-benzenesulfonamide
SpectraBase Compound ID D87S9yBGFOK
InChI InChI=1S/C14H20N2O5S/c1-4-9-15(13(10-17)11(2)3)22(20,21)14-8-6-5-7-12(14)16(18)19/h4-8,11,13,17H,1,9-10H2,2-3H3/t13-/m1/s1
InChIKey MQZPXYVSEAZORV-CYBMUJFWSA-N
Mol Weight 328.38 g/mol
Molecular Formula C14H20N2O5S
Exact Mass 328.109293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DV5ZsRAJBEh
Name N-allyl-N-[(1S)-1-(hydroxymethyl)-2-methyl-propyl]-2-nitro-benzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20N2O5S
InChI InChI=1S/C14H20N2O5S/c1-4-9-15(13(10-17)11(2)3)22(20,21)14-8-6-5-7-12(14)16(18)19/h4-8,11,13,17H,1,9-10H2,2-3H3/t13-/m1/s1
InChIKey MQZPXYVSEAZORV-CYBMUJFWSA-N
Molecular Weight 328.383 g/mol
SMILES OC[C@@](N(S(=O)(=O)c1c(cccc1)N(=O)=O)CC=C)(C(C)C)[H]
SPLASH splash10-000f-9510000000-3d62c8cfd75beb24d888
Source of Spectrum F-54-15797-0
Synonyms N-allyl-N-[(1S)-2-methyl-1-methylol-propyl]-2-nitro-benzenesulfonamide N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-nitro-N-prop-2-enylbenzenesulfonamide N-[(2S)-3-methyl-1-oxidanyl-butan-2-yl]-2-nitro-N-prop-2-enyl-benzenesulfonamide
Wiley ID 804286