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22H-Biline-1-carbonitrile, 1,2,3,23-tetrahydro-1,2,2,7,8,12,13,17,18-nonamethyl-
SpectraBase Compound ID Ea3j0DQ24ZB
InChI InChI=1S/C29H35N5/c1-16-14-31-23(17(16)2)11-25-20(5)21(6)27(33-25)12-26-19(4)18(3)24(32-26)10-22-13-28(7,8)29(9,15-30)34-22/h10-12,14,32-33H,13H2,1-9H3/b23-11-,24-10-,26-12-
InChIKey AFROXCITQKNXKR-SCEPZEOJSA-N
Mol Weight 453.6 g/mol
Molecular Formula C29H35N5
Exact Mass 453.289246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IsZqrGGVYnB
Name 22H-Biline-1-carbonitrile, 1,2,3,23-tetrahydro-1,2,2,7,8,12,13,17,18-nonamethyl-
CAS Registry Number 112026-06-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35N5
InChI InChI=1S/C29H35N5/c1-16-14-31-23(17(16)2)11-25-20(5)21(6)27(33-25)12-26-19(4)18(3)24(32-26)10-22-13-28(7,8)29(9,15-30)34-22/h10-12,14,32-33H,13H2,1-9H3/b23-11-,24-10-,26-12-
InChIKey AFROXCITQKNXKR-SCEPZEOJSA-N
Molecular Weight 453.634 g/mol
SMILES N1\C(=C/c2c(c(c([nH]2)\C=C\2N=CC(=C2C)C)C)C)C(=C(C)\C1=C/C1=NC(C#N)(C)C(C1)(C)C)C
SPLASH splash10-0fb9-0000900000-d0cb16700da676376c3e
Source of Spectrum H-70-408-22
Synonyms 17,18,19,23-Tetrahydro-2,3,7,8,12,13,18,18,19-nonamethyl-22H-biline-19-carbonitrile 5-{(Z)-[(5Z)-5-({5-[(Z)-(3,4-Dimethyl-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-1H-pyrrol-2-yl}methylene)-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-2,3,3-trimethyl-3,4-dihydro-2H-pyrrole-2-carbonitrile
Wiley ID 1388552