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7-o-(phenoxythiocarbonyl)-9-o-benzoylheliotridine
SpectraBase Compound ID 6TSmjXDRwJJ
InChI InChI=1S/C22H21NO4S/c24-21(16-7-3-1-4-8-16)25-15-17-11-13-23-14-12-19(20(17)23)27-22(28)26-18-9-5-2-6-10-18/h1-11,19-20H,12-15H2/t19-,20+/m0/s1
InChIKey OVCFEUJBWXQEKA-VQTJNVASSA-N
Mol Weight 395.47 g/mol
Molecular Formula C22H21NO4S
Exact Mass 395.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCsxvPFcyED
Name 7-o-(phenoxythiocarbonyl)-9-o-benzoylheliotridine
CAS Registry Number 126191-54-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO4S
InChI InChI=1S/C22H21NO4S/c24-21(16-7-3-1-4-8-16)25-15-17-11-13-23-14-12-19(20(17)23)27-22(28)26-18-9-5-2-6-10-18/h1-11,19-20H,12-15H2/t19-,20+/m0/s1
InChIKey OVCFEUJBWXQEKA-VQTJNVASSA-N
Molecular Weight 395.473 g/mol
SMILES C(O[C@@]1([C@]2(C(=CCN2CC1)COC(=O)c1ccccc1)[H])[H])(=S)Oc1ccccc1
SPLASH splash10-014l-2920000000-d84fab741f218234bb40
Source of Spectrum J-55-3402-5
Synonyms {(1S,7aR)-1-[(phenoxycarbothioyl)oxy]-2,3,5,7a-tetrahydro-1H-pyrrolo[1,2-a]pyrrol-7-yl}methyl benzoate
Wiley ID 1367047