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PIBOCIN-B;(8-BETA)-2-BROMO-N-O-METHYL-6,8-DIMETHYLERGOLINE
SpectraBase Compound ID 5L25flQlCAb
InChI InChI=1S/C17H21BrN2O/c1-10-7-12-11-5-4-6-14-16(11)13(17(18)20(14)21-3)8-15(12)19(2)9-10/h4-6,10,12,15H,7-9H2,1-3H3/t10-,12-,15-/m1/s1
InChIKey ZCNGIHGSYMIIIR-IXPVHAAZSA-N
Mol Weight 349.27 g/mol
Molecular Formula C17H21BrN2O
Exact Mass 348.083726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 109Ip19AxmM
Name PiBOCin B
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21BrN2O
InChI InChI=1S/C17H21BrN2O/c1-10-7-12-11-5-4-6-14-16(11)13(17(18)20(14)21-3)8-15(12)19(2)9-10/h4-6,10,12,15H,7-9H2,1-3H3/t10-,12-,15-/m1/s1
InChIKey ZCNGIHGSYMIIIR-IXPVHAAZSA-N
Molecular Weight 349.272 g/mol
SMILES c12c([n](OC)c3c2c(ccc3)[C@@]2([C@@](C1)(N(C[C@](C)(C2)[H])C)[H])[H])Br
SPLASH splash10-014i-3219000000-841b80e667659730088d
Source of Spectrum G4-64-1560-1
Synonyms (6aR,9R,10aR)-5-bromanyl-4-methoxy-7,9-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Wiley ID 1609333