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Benzopyrano[4,3-b]pyrrole-3-carboxylic acid, 3,3a,4,9b-tetrahydro-4-oxo-2-phenyl-, methyl ester, (3.alpha.,3a.alpha.,9b.alpha.)-
SpectraBase Compound ID KOJcbdsIwZf
InChI InChI=1S/C19H15NO4/c1-23-18(21)14-15-17(20-16(14)11-7-3-2-4-8-11)12-9-5-6-10-13(12)24-19(15)22/h2-10,14-15,17H,1H3/t14-,15-,17-/m0/s1
InChIKey QVBHAMIIKXJMSW-ZOBUZTSGSA-N
Mol Weight 321.33 g/mol
Molecular Formula C19H15NO4
Exact Mass 321.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmaC5nSbm56
Name Benzopyrano[4,3-b]pyrrole-3-carboxylic acid, 3,3a,4,9b-tetrahydro-4-oxo-2-phenyl-, methyl ester, (3.alpha.,3a.alpha.,9b.alpha.)-
Alternate Name(s) 2-Phenyl-3-methoxycarbonyl-3a,8a-dihydro-1,2-benzopyrono[3,4-b]pyrrole Methyl (3S,3aS,9bR)-4-oxo-2-phenyl-3,3a,4,9b-tetrahydrochromeno[4,3-b]pyrrole-3-carboxylate
CAS Registry Number 122372-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15NO4
InChI InChI=1S/C19H15NO4/c1-23-18(21)14-15-17(20-16(14)11-7-3-2-4-8-11)12-9-5-6-10-13(12)24-19(15)22/h2-10,14-15,17H,1H3/t14-,15-,17-/m0/s1
InChIKey QVBHAMIIKXJMSW-ZOBUZTSGSA-N
Molecular Weight 321.332 g/mol
SMILES [C@@]12([C@@](C(c3ccccc3)=N[C@]1(c1ccccc1OC2=O)[H])(C(=O)OC)[H])[H]
SPLASH splash10-05fr-0189000000-b18924d8988057424ec7
Source of Spectrum AJ-62-812-3
Wiley ID 1320999