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3,5-Dimethyl-2-[3-methyl-4-phenyl-1-(1-(S)-phenylethyl)-1H-pyrrol-2-yl]phenol isomer
SpectraBase Compound ID 36WivZFHa9G
InChI InChI=1S/C27H27NO/c1-18-15-19(2)26(25(29)16-18)27-20(3)24(23-13-9-6-10-14-23)17-28(27)21(4)22-11-7-5-8-12-22/h5-17,21,29H,1-4H3/t21-/m0/s1
InChIKey NRKKQBHGVONPII-NRFANRHFSA-N
Mol Weight 381.52 g/mol
Molecular Formula C27H27NO
Exact Mass 381.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9erBAPfpxBh
Name 3,5-Dimethyl-2-[3-methyl-4-phenyl-1-(1-(S)-phenylethyl)-1H-pyrrol-2-yl]phenol isomer
Alternate Name(s) 3,5-Dimethyl-2-{3-methyl-4-phenyl-1-[(1S)-1-phenylethyl]-1H-pyrrol-2-yl}phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27NO
InChI InChI=1S/C27H27NO/c1-18-15-19(2)26(25(29)16-18)27-20(3)24(23-13-9-6-10-14-23)17-28(27)21(4)22-11-7-5-8-12-22/h5-17,21,29H,1-4H3/t21-/m0/s1
InChIKey NRKKQBHGVONPII-NRFANRHFSA-N
Molecular Weight 381.519 g/mol
SMILES Oc1c(-c2[n](cc(-c3ccccc3)c2C)[C@](c2ccccc2)(C)[H])c(cc(C)c1)C
SPLASH splash10-056r-6984000000-b1ec3cf0892cb4703f20
Source of Spectrum KD-15-143-8
Wiley ID 1636664