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(3R,4S)-3-[(E)-1-[(benzylamino)methyl]prop-1-enyl]-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid methyl ester
SpectraBase Compound ID HCsfDPpvpjL
InChI InChI=1S/C26H30N2O2/c1-4-19(17-27-16-18-10-6-5-7-11-18)20-14-15-23-24(25(20)26(29)30-3)21-12-8-9-13-22(21)28(23)2/h4-13,20,25,27H,14-17H2,1-3H3/b19-4-/t20-,25-/m0/s1
InChIKey RCHKHHUJVHUVAI-JUPUAXLVSA-N
Mol Weight 402.54 g/mol
Molecular Formula C26H30N2O2
Exact Mass 402.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oSjqiQwSMo
Name (3R,4S)-3-[(E)-1-[(benzylamino)methyl]prop-1-enyl]-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid methyl ester
Alternate Name(s) (3R,4S)-9-methyl-3-[(E)-1-[(phenylmethyl)amino]but-2-en-2-yl]-1,2,3,4-tetrahydrocarbazole-4-carboxylic acid methyl ester methyl (3R,4S)-3-[(E)-1-(benzylamino)but-2-en-2-yl]-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate methyl (3R,4S)-3-[(E)-1-[(benzylamino)methyl]prop-1-enyl]-9-methyl-1,2,3,4-tetrahydrocarbazole-4-carboxylate methyl (3R,4S)-9-methyl-3-[(E)-1-[(phenylmethyl)amino]but-2-en-2-yl]-1,2,3,4-tetrahydrocarbazole-4-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C26H30N2O2
InChI InChI=1S/C26H30N2O2/c1-4-19(17-27-16-18-10-6-5-7-11-18)20-14-15-23-24(25(20)26(29)30-3)21-12-8-9-13-22(21)28(23)2/h4-13,20,25,27H,14-17H2,1-3H3/b19-4-/t20-,25-/m0/s1
InChIKey RCHKHHUJVHUVAI-JUPUAXLVSA-N
Molecular Weight 402.538 g/mol
SMILES N(C\C([C@]1([C@@](c2c([n](C)c3c2cccc3)CC1)(C(=O)OC)[H])[H])=C\C)Cc1ccccc1
SPLASH splash10-0f6x-0009400000-80ae4201e00479f50e30
Source of Spectrum F-55-3125-10
Wiley ID 837089