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XJOOMMHNYOJWCZ-UHFFFAOYSA-N
SpectraBase Compound ID LfrZX9fB37t
InChI InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3
InChIKey XJOOMMHNYOJWCZ-UHFFFAOYSA-N
Mol Weight 238.33 g/mol
Molecular Formula C16H18N2
Exact Mass 238.146999 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9vBF1Ecicy
Name Ergoline, 8,9-didehydro-6,8-dimethyl-
CAS Registry Number 548-42-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2
InChI InChI=1S/C16H18N2/c1-10-6-13-12-4-3-5-14-16(12)11(8-17-14)7-15(13)18(2)9-10/h3-6,8,13,15,17H,7,9H2,1-2H3
InChIKey XJOOMMHNYOJWCZ-UHFFFAOYSA-N
Molecular Weight 238.334 g/mol
SMILES CN1C2C(c3c4c(ccc3)[nH]cc4C2)C=C(C1)C
SPLASH splash10-000i-0290000000-945ecd4099efff1fbb98
Source of Spectrum KI-0-16-0
Synonyms 6,8-Dimethyl-8,9-didehydroergoline 8,9-Didehydro-6,8-dimethylergoline Agroclavin Agroclavine Indolo(4,3-fg)quinoline, 4,6,6a,7,8,10a-hexahydro-7,9-dimethyl- BRN 0024966 CCRIS 2099 EINECS 208-947-3 NSC 93132
Wiley ID 1241402