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1,3-Bis[1(S)-phenylethyl)]-4(R),5(R),6(S),9(R)-6,9-diethenyl-2,3,4,5,6,9-hexahydro-1,3-diazaindene
SpectraBase Compound ID 2TKmEOVXoKz
InChI InChI=1S/C27H32N2/c1-5-22-17-18-23(6-2)27-26(22)28(20(3)24-13-9-7-10-14-24)19-29(27)21(4)25-15-11-8-12-16-25/h5-18,20-23,26-27H,1-2,19H2,3-4H3/t20-,21-,22-,23+,26+,27+/m0/s1
InChIKey BBNGAFLGGDJUJC-RYGRLOLMSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H32N2
Exact Mass 384.256549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cmc1ikYWbw5
Name 1,3-Bis[1(S)-phenylethyl)]-4(R),5(R),6(S),9(R)-6,9-diethenyl-2,3,4,5,6,9-hexahydro-1,3-diazaindene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N2
InChI InChI=1S/C27H32N2/c1-5-22-17-18-23(6-2)27-26(22)28(20(3)24-13-9-7-10-14-24)19-29(27)21(4)25-15-11-8-12-16-25/h5-18,20-23,26-27H,1-2,19H2,3-4H3/t20-,21-,22-,23+,26+,27+/m0/s1
InChIKey BBNGAFLGGDJUJC-RYGRLOLMSA-N
Literature Reference DOI 10.10021615-4169(200212)344_10_1068
Molecular Weight 384.567 g/mol
SMILES [C@]12(N(CN([C@@]2([C@@](C=C[C@@]1(C=C)[H])(C=C)[H])[H])[C@](c1ccccc1)(C)[H])[C@@](C)(c1ccccc1)[H])[H]
SPLASH splash10-0a4i-0912000000-5f1226cbc98ec19c77c9
Source of Spectrum ASC-344-1071-(S,R)_7
Synonyms (3aR,4R,7S,7aR)-1,3-bis((S)-1-phenylethyl)-4,7-divinyl-2,3,3a,4,7,7a-hexahydro-1H-benzo[d]imidazole
Wiley ID 1767171