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5-Benzoyl-3a.beta.,4,10,10a.beta.-tetrahydro-2H,5H-pyrrolo[3,4-b]carbazole-1,3-dione
SpectraBase Compound ID LIEwubYnX1q
InChI InChI=1S/C21H16N2O3/c24-19-15-10-14-13-8-4-5-9-17(13)23(18(14)11-16(15)20(25)22-19)21(26)12-6-2-1-3-7-12/h1-9,15-16H,10-11H2,(H,22,24,25)/t15-,16+/m0/s1
InChIKey VKQWSAJXUGSAFC-JKSUJKDBSA-N
Mol Weight 344.37 g/mol
Molecular Formula C21H16N2O3
Exact Mass 344.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jOzRiNz8Rw
Name 5-Benzoyl-3a.beta.,4,10,10a.beta.-tetrahydro-2H,5H-pyrrolo[3,4-b]carbazole-1,3-dione
Alternate Name(s) (3aR,10aS)-5-benzoyl-4,5,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3(2H,3aH)-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2O3
InChI InChI=1S/C21H16N2O3/c24-19-15-10-14-13-8-4-5-9-17(13)23(18(14)11-16(15)20(25)22-19)21(26)12-6-2-1-3-7-12/h1-9,15-16H,10-11H2,(H,22,24,25)/t15-,16+/m0/s1
InChIKey VKQWSAJXUGSAFC-JKSUJKDBSA-N
Molecular Weight 344.370 g/mol
SMILES N1C([C@@]2([C@](C1=O)(Cc1c(C2)c2c([n]1C(=O)c1ccccc1)cccc2)[H])[H])=O
SPLASH splash10-0a4i-0901000000-0d78499d32acfd2b5264
Source of Spectrum F-47-1932-10
Wiley ID 1338093