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Acetamide, 2-[(3,4-dihydro-2-phenyl-2H-1-benzopyran-4-yl)thio]-N-phenyl-, trans-(.+-.)-
SpectraBase Compound ID 5IH5WgRlPcF
InChI InChI=1S/C23H21NO2S/c25-23(24-18-11-5-2-6-12-18)16-27-22-15-21(17-9-3-1-4-10-17)26-20-14-8-7-13-19(20)22/h1-14,21-22H,15-16H2,(H,24,25)/t21-,22+/m1/s1
InChIKey ZSNJBQHEJFTJGA-YADHBBJMSA-N
Mol Weight 375.49 g/mol
Molecular Formula C23H21NO2S
Exact Mass 375.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CfK2OVsRVAd
Name Acetamide, 2-[(3,4-dihydro-2-phenyl-2H-1-benzopyran-4-yl)thio]-N-phenyl-, trans-(.+-.)-
Alternate Name(s) Flavan-4.alpha.-ylthioacetanilide N-phenyl-2-{[(2R,4S)-2-phenyl-3,4-dihydro-2H-chromen-4-yl]sulfanyl}acetamide
CAS Registry Number 89840-08-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H21NO2S
InChI InChI=1S/C23H21NO2S/c25-23(24-18-11-5-2-6-12-18)16-27-22-15-21(17-9-3-1-4-10-17)26-20-14-8-7-13-19(20)22/h1-14,21-22H,15-16H2,(H,24,25)/t21-,22+/m1/s1
InChIKey ZSNJBQHEJFTJGA-YADHBBJMSA-N
Molecular Weight 375.486 g/mol
SMILES N(C(CS[C@]1(C[C@@](Oc2c1cccc2)(c1ccccc1)[H])[H])=O)c1ccccc1
SPLASH splash10-000i-0901000000-3e5da96fc1de2942a76e
Source of Spectrum KC-1983-2909-0
Wiley ID 1357276