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4,8-Etheno-1H-furo[3,4-c]azepine-1,3,7-trione, 3a,4,5,6,8,8a-hexahydro-5-phenyl-, (3a.alpha.,4.beta.,8.beta.,8a.alpha.)-
SpectraBase Compound ID AdtnfJbISiP
InChI InChI=1S/C16H13NO4/c18-12-8-17(9-4-2-1-3-5-9)11-7-6-10(12)13-14(11)16(20)21-15(13)19/h1-7,10-11,13-14H,8H2/t10-,11-,13-,14+/m0/s1
InChIKey MPMUHEWNLHKIPY-AUZPSNTRSA-N
Mol Weight 283.28 g/mol
Molecular Formula C16H13NO4
Exact Mass 283.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPvmmTHIUbn
Name 4,8-Etheno-1H-furo[3,4-c]azepine-1,3,7-trione, 3a,4,5,6,8,8a-hexahydro-5-phenyl-, (3a.alpha.,4.beta.,8.beta.,8a.alpha.)-
CAS Registry Number 110835-79-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO4
InChI InChI=1S/C16H13NO4/c18-12-8-17(9-4-2-1-3-5-9)11-7-6-10(12)13-14(11)16(20)21-15(13)19/h1-7,10-11,13-14H,8H2/t10-,11-,13-,14+/m0/s1
InChIKey MPMUHEWNLHKIPY-AUZPSNTRSA-N
Molecular Weight 283.283 g/mol
SMILES [C@]12(C(OC([C@]2([C@@]2(C(=O)CN([C@]1(C=C2)[H])c1ccccc1)[H])[H])=O)=O)[H]
SPLASH splash10-0a4i-2900000000-01fb662449279c933048
Source of Spectrum KC-1990-3173-0
Synonyms (1R,2S,6S,7S)-8-phenyl-4-oxa-8-azatricyclo[5.3.2.0(2,6)]dodec-11-ene-3,5,10-trione 2-Phenyl-4-oxo-2-azabicyclonon-8-ene-endo-6,7-dicarboxylic anhydride
Wiley ID 1286966