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1-(4-(4,6-Diphenyl-1-tosyl-6,7-dihydro-1H-azepin-2-yl)phenyl)ethanone
SpectraBase Compound ID 4Uje2rgpjGA
InChI InChI=1S/C33H29NO3S/c1-24-13-19-32(20-14-24)38(36,37)34-23-31(28-11-7-4-8-12-28)21-30(27-9-5-3-6-10-27)22-33(34)29-17-15-26(16-18-29)25(2)35/h3-22,31H,23H2,1-2H3
InChIKey BLRLFPJHNJVFND-UHFFFAOYSA-N
Mol Weight 519.7 g/mol
Molecular Formula C33H29NO3S
Exact Mass 519.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H38HZyBHCbv
Name 1-(4-(4,6-Diphenyl-1-tosyl-6,7-dihydro-1H-azepin-2-yl)phenyl)ethanone
Alternate Name(s) 1-(4-(4,6-diphenyl-1-tosyl-6,7-dihydro-1H-azepin-2-yl)phenyl)ethan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H29NO3S
InChI InChI=1S/C33H29NO3S/c1-24-13-19-32(20-14-24)38(36,37)34-23-31(28-11-7-4-8-12-28)21-30(27-9-5-3-6-10-27)22-33(34)29-17-15-26(16-18-29)25(2)35/h3-22,31H,23H2,1-2H3
InChIKey BLRLFPJHNJVFND-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201304902
Molecular Weight 519.659 g/mol
SMILES C1N(C(c2ccc(cc2)C(C)=O)=CC(c2ccccc2)=CC1c1ccccc1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-03di-2309000000-0b2e8fd69915c3119a13
Source of Spectrum ACI-52-SM-7
Wiley ID 1781812