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1-Pyrroline, 2-[5-(3,3-dimethyl-1-pyrrolin-2-ylmethylene)-3,3-dimethyl-pyrrolidin-2-ylidenemethyl]-4,4-dimethyl-5-(4,4,5-trimethyl-5-cyano-1-pirrolin-2-ylthiomethylene
SpectraBase Compound ID 6uGMErTlkzv
InChI InChI=1S/C29H41N5S/c1-25(2)10-11-31-21(25)12-19-14-26(3,4)22(32-19)13-20-15-27(5,6)23(33-20)17-35-24-16-28(7,8)29(9,18-30)34-24/h12-13,17,32H,10-11,14-16H2,1-9H3/b19-12-,22-13-,23-17-
InChIKey IPFMKSDAZUZDPX-MFYZLPCVSA-N
Mol Weight 491.7 g/mol
Molecular Formula C29H41N5S
Exact Mass 491.308268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81BkKbkyHIX
Name 1-Pyrroline, 2-[5-(3,3-dimethyl-1-pyrrolin-2-ylmethylene)-3,3-dimethyl-pyrrolidin-2-ylidenemethyl]-4,4-dimethyl-5-(4,4,5-trimethyl-5-cyano-1-pirrolin-2-ylthiomethylene
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H41N5S
InChI InChI=1S/C29H41N5S/c1-25(2)10-11-31-21(25)12-19-14-26(3,4)22(32-19)13-20-15-27(5,6)23(33-20)17-35-24-16-28(7,8)29(9,18-30)34-24/h12-13,17,32H,10-11,14-16H2,1-9H3/b19-12-,22-13-,23-17-
InChIKey IPFMKSDAZUZDPX-MFYZLPCVSA-N
Molecular Weight 491.742 g/mol
SMILES N1\C(C(C\C1=C/C=1C(C)(C)CCN1)(C)C)=C/C1=N\C(C(C1)(C)C)=C\SC1=NC(C)(C(C1)(C)C)C#N
SPLASH splash10-00fu-7898600000-71c84871d33d329ddc65
Synonyms 5-(((Z)-[5-((Z)-((5Z)-5-[(4,4-Dimethyl-3,4-dihydro-2H-pyrrol-5-yl)methylene]-3,3-dimethylpyrrolidinylidene)methyl)-3,3-dimethyl-3,4-dihydro-2H-pyrrol-2-ylidene]methyl)sulfanyl)-2,3,3-trimethyl-3,4-dih
Wiley ID 1480604