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13-[1-(p-Methylphenylsulfonyl)-3-pyrroyl]-12,9,6,3-tetraixatridecanol

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13-[1-(p-Methylphenylsulfonyl)-3-pyrroyl]-12,9,6,3-tetraixatridecanol
SpectraBase Compound ID 8xFDuptDZ8E
InChI InChI=1S/C20H29NO7S/c1-18-2-4-20(5-3-18)29(23,24)21-7-6-19(16-21)17-28-15-14-27-13-12-26-11-10-25-9-8-22/h2-7,16,22H,8-15,17H2,1H3
InChIKey HPHMAFGRVYWZFR-UHFFFAOYSA-N
Mol Weight 427.51 g/mol
Molecular Formula C20H29NO7S
Exact Mass 427.166473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID lcWPzHmpZP
Name 13-[1-(p-Methylphenylsulfonyl)-3-pyrroyl]-12,9,6,3-tetraixatridecanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.166473445 u
Formula C20H29NO7S
InChI InChI=1S/C20H29NO7S/c1-18-2-4-20(5-3-18)29(23,24)21-7-6-19(16-21)17-28-15-14-27-13-12-26-11-10-25-9-8-22/h2-7,16,22H,8-15,17H2,1H3
InChIKey HPHMAFGRVYWZFR-UHFFFAOYSA-N
Molecular Weight 427.512 g/mol
SMILES C=1N(S(C=2C=CC(=CC2)C)(=O)=O)C=CC1COCCOCCOCCOCCO