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1H-Carbazole-4-carboxylic acid, 3-benzoyl-2,3,4,9-tetrahydro-1-methyl-, methyl ester, (1.alpha.,3.alpha.,4.beta.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1H-Carbazole-4-carboxylic acid, 3-benzoyl-2,3,4,9-tetrahydro-1-methyl-, methyl ester, (1.alpha.,3.alpha.,4.beta.)-(.+-.)-
SpectraBase Compound ID InnTgX0fU3B
InChI InChI=1S/C22H21NO3/c1-13-12-16(21(24)14-8-4-3-5-9-14)19(22(25)26-2)18-15-10-6-7-11-17(15)23-20(13)18/h3-11,13,16,19,23H,12H2,1-2H3/t13-,16+,19-/m1/s1
InChIKey VSHLRVPSPRIQAD-ACWOFJMJSA-N
Mol Weight 347.41 g/mol
Molecular Formula C22H21NO3
Exact Mass 347.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HE0nw5dDNLM
Name 1H-Carbazole-4-carboxylic acid, 3-benzoyl-2,3,4,9-tetrahydro-1-methyl-, methyl ester, (1.alpha.,3.alpha.,4.beta.)-(.+-.)-
CAS Registry Number 129491-74-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO3
InChI InChI=1S/C22H21NO3/c1-13-12-16(21(24)14-8-4-3-5-9-14)19(22(25)26-2)18-15-10-6-7-11-17(15)23-20(13)18/h3-11,13,16,19,23H,12H2,1-2H3/t13-,16+,19-/m1/s1
InChIKey VSHLRVPSPRIQAD-ACWOFJMJSA-N
Molecular Weight 347.414 g/mol
SMILES [nH]1c2ccccc2c2c1[C@@](C[C@@]([C@]2(C(=O)OC)[H])(C(=O)c1ccccc1)[H])(C)[H]
SPLASH splash10-014i-0319000000-19c468aae171813a13bd
Source of Spectrum J-55-5373-10
Synonyms Methyl (1R,3S,4R)-3-benzoyl-1-methyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylate Methyl 3.beta.-benzoyl-1.beta.-methyl-1,2,3,4-tetrahydro-9H-carbazole-4-carboxylate
Wiley ID 1340131