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(3R*, 8S*, 12S*)-N-Tosyl-5-azatricyclo[10.3.0.0(3,8)]pentadec-1-ene-10-one
SpectraBase Compound ID 7s4P7qS6AmA
InChI InChI=1S/C21H27NO3S/c1-15-5-7-21(8-6-15)26(24,25)22-10-9-18-13-20(23)12-17-4-2-3-16(17)11-19(18)14-22/h5-8,11,17-19H,2-4,9-10,12-14H2,1H3/b16-11-/t17-,18-,19+/m0/s1
InChIKey OEHGQLPFBBYSNT-UEWBXWJSSA-N
Mol Weight 373.51 g/mol
Molecular Formula C21H27NO3S
Exact Mass 373.171165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3LMQP7uGVRs
Name (3R*, 8S*, 12S*)-N-Tosyl-5-azatricyclo[10.3.0.0(3,8)]pentadec-1-ene-10-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO3S
InChI InChI=1S/C21H27NO3S/c1-15-5-7-21(8-6-15)26(24,25)22-10-9-18-13-20(23)12-17-4-2-3-16(17)11-19(18)14-22/h5-8,11,17-19H,2-4,9-10,12-14H2,1H3/b16-11-/t17-,18-,19+/m0/s1
InChIKey OEHGQLPFBBYSNT-UEWBXWJSSA-N
Literature Reference DOI 10.1002/asia.201000053
Molecular Weight 373.511 g/mol
SMILES [C@@]12(\C(=C/[C@]3([C@](CC(=O)C2)(CCN(C3)S(c2ccc(cc2)C)(=O)=O)[H])[H])CCC1)[H]
SPLASH splash10-014l-8294000000-67201015aa87019f6a79
Source of Spectrum CAJ-5-1555/SM18-21
Synonyms (4aS,7aS,11aR,Z)-2-tosyl-3,4,4a,5,7,7a,8,9,10,11a-decahydro-1H-cyclopenta[6,7]cycloocta[1,2-c]pyridin-6(2H)-one
Wiley ID 1774656