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D-9,10-didehydro-6-methylergoline-8 beta- carboxylic acid, monohydrate

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D-9,10-didehydro-6-methylergoline-8 beta- carboxylic acid, monohydrate
SpectraBase Compound ID 5JlFkk8ksAd
InChI InChI=1S/C16H16N2O2.H2O/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18;/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20);1H2/t10-,14-;/m1./s1
InChIKey VAPRZIDWFJHKLR-BWTUWSSMSA-N
Mol Weight 286.331 g/mol
Molecular Formula C16H18N2O3
Exact Mass 286.131742 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 98Qlt0BW7my
Name D-9,10-DIDEHYDRO-6-METHYLERGOLINE-8beta-CARBOXYLIC ACID, MONOHYDRATE
Source of Sample Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan
Catalog Number L 087
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O3
InChI InChI=1S/C16H16N2O2.H2O/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18;/h2-5,7,10,14,17H,6,8H2,1H3,(H,19,20);1H2/t10-,14-;/m1./s1
InChIKey VAPRZIDWFJHKLR-BWTUWSSMSA-N
Melting Point 228C
Molecular Weight 286.330994
Synonyms ERGOLINE-8B-CARBOXYLIC ACID, 9,10-DIDEHYDRO-6-METHYL-, MONOHYDRATE, D-, LYSERGIC ACID, MONOHYDRATE, D-,
Technique KBr WAFER