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4-Allyl-5-methyl-7-phenyl-1-tosyl-2,3-dihydro-1H-azepine
SpectraBase Compound ID EmtdhWay6QU
InChI InChI=1S/C23H25NO2S/c1-4-8-20-15-16-24(27(25,26)22-13-11-18(2)12-14-22)23(17-19(20)3)21-9-6-5-7-10-21/h4-7,9-14,17H,1,8,15-16H2,2-3H3
InChIKey NSIHRUJITISDRM-UHFFFAOYSA-N
Mol Weight 379.52 g/mol
Molecular Formula C23H25NO2S
Exact Mass 379.1606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJ8CfAUw4Jt
Name 4-Allyl-5-methyl-7-phenyl-1-tosyl-2,3-dihydro-1H-azepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO2S
InChI InChI=1S/C23H25NO2S/c1-4-8-20-15-16-24(27(25,26)22-13-11-18(2)12-14-22)23(17-19(20)3)21-9-6-5-7-10-21/h4-7,9-14,17H,1,8,15-16H2,2-3H3
InChIKey NSIHRUJITISDRM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201304902
Molecular Weight 379.518 g/mol
SMILES c1cccc(C=2N(CCC(CC=C)=C(C)C2)S(c2ccc(cc2)C)(=O)=O)c1
SPLASH splash10-00di-3092000000-16a2a6f3b3b23410184b
Source of Spectrum ACI-52-SM-28
Wiley ID 1781807