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3-{[3-(3-acetylanilino)-3-oxopropyl]sulfanyl}-N-(3-acetylphenyl)propanamide

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3-{[3-(3-acetylanilino)-3-oxopropyl]sulfanyl}-N-(3-acetylphenyl)propanamide
SpectraBase Compound ID 4aBgmXIq9LE
InChI InChI=1S/C22H24N2O4S/c1-15(25)17-5-3-7-19(13-17)23-21(27)9-11-29-12-10-22(28)24-20-8-4-6-18(14-20)16(2)26/h3-8,13-14H,9-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKey XUYNTYOOLLYMBA-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C22H24N2O4S
Exact Mass 412.145678 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7gsgDvBB15n
Name 3-{[3-(3-Acetylanilino)-3-oxopropyl]sulfanyl}-N-(3-acetylphenyl)propanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.145678431 u
Formula C22H24N2O4S
InChI InChI=1S/C22H24N2O4S/c1-15(25)17-5-3-7-19(13-17)23-21(27)9-11-29-12-10-22(28)24-20-8-4-6-18(14-20)16(2)26/h3-8,13-14H,9-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKey XUYNTYOOLLYMBA-UHFFFAOYSA-N
Molecular Weight 412.504 g/mol
SMILES N(C(CCSCCC(NC=1C=C(C(=O)C)C=CC1)=O)=O)C=1C=C(C(=O)C)C=CC1