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5-(2-Oxopyrrolidin-1-yl)oxathiino[b][2.2]paracyclophane

View entire compound with spectra: 1 MS (GC)

5-(2-Oxopyrrolidin-1-yl)oxathiino[b][2.2]paracyclophane
SpectraBase Compound ID KNXsB5irIS1
InChI InChI=1S/C22H23NO2S/c24-19-2-1-13-23(19)20-14-26-22-18-10-8-16-5-3-15(4-6-16)7-9-17(11-12-18)21(22)25-20/h3-6,11-12,20H,1-2,7-10,13-14H2/t20-/m1/s1
InChIKey IHKNBECZJAURKC-HXUWFJFHSA-N
Mol Weight 365.49 g/mol
Molecular Formula C22H23NO2S
Exact Mass 365.14495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dm2lUDotDye
Name 5-(2-Oxopyrrolidin-1-yl)oxathiino[b][2.2]paracyclophane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO2S
InChI InChI=1S/C22H23NO2S/c24-19-2-1-13-23(19)20-14-26-22-18-10-8-16-5-3-15(4-6-16)7-9-17(11-12-18)21(22)25-20/h3-6,11-12,20H,1-2,7-10,13-14H2/t20-/m1/s1
InChIKey IHKNBECZJAURKC-HXUWFJFHSA-N
Molecular Weight 365.491 g/mol
SMILES [C@]1(N2C(=O)CCC2)(Oc2c3ccc(c2SC1)CCc1ccc(CC3)cc1)[H]
SPLASH splash10-004i-2913000000-8ac0e63fca8618ab5fdc
Source of Spectrum F-62-5629-10
Wiley ID 1633529