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2H-Thieno[2,3-e]isoindole-6,8(3H,7H)-dione, 5,5a,8a,8b-tetrahydro-7-phenyl-, 1-oxide, (1.alpha.,5a.alpha.,8a.alpha.,8b.alpha.)-

View entire compound with spectra: 1 MS (GC)

2H-Thieno[2,3-e]isoindole-6,8(3H,7H)-dione, 5,5a,8a,8b-tetrahydro-7-phenyl-, 1-oxide, (1.alpha.,5a.alpha.,8a.alpha.,8b.alpha.)-
SpectraBase Compound ID 2SLmsYHdpNG
InChI InChI=1S/C16H15NO3S/c18-15-12-7-6-10-8-9-21(20)14(10)13(12)16(19)17(15)11-4-2-1-3-5-11/h1-6,12-14H,7-9H2/t12-,13-,14-,21?/m1/s1
InChIKey QFNFBQVFYDKFBW-ZPURKBSKSA-N
Mol Weight 301.36 g/mol
Molecular Formula C16H15NO3S
Exact Mass 301.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZW3QcooGuM
Name 2H-Thieno[2,3-e]isoindole-6,8(3H,7H)-dione, 5,5a,8a,8b-tetrahydro-7-phenyl-, 1-oxide, (1.alpha.,5a.alpha.,8a.alpha.,8b.alpha.)-
CAS Registry Number 114615-07-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO3S
InChI InChI=1S/C16H15NO3S/c18-15-12-7-6-10-8-9-21(20)14(10)13(12)16(19)17(15)11-4-2-1-3-5-11/h1-6,12-14H,7-9H2/t12-,13-,14-,21?/m1/s1
InChIKey QFNFBQVFYDKFBW-ZPURKBSKSA-N
Molecular Weight 301.360 g/mol
SMILES C1(N(C([C@@]2(CC=C3CC[S@]([C@]3([C@]12[H])[H])=O)[H])=O)c1ccccc1)=O
SPLASH splash10-0udl-9046000000-f8e71556bad2b306ea9a
Source of Spectrum C-110-4633-30
Synonyms (5aR,8aS,8bS)-7-phenyl-5,5a,8a,8b-tetrahydro-2H-thieno[2,3-e]isoindole-6,8(3H,7H)-dione 1-oxide
Wiley ID 1303767