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(-)-9,10-Dihydroisosetoclavine
SpectraBase Compound ID IXgljTUDtGZ
InChI InChI=1S/C16H20N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,8,12,14,17,19H,6-7,9H2,1-2H3/t12-,14-,16-/m1/s1
InChIKey PYBBWVXSIFAQEZ-XNRPHZJLSA-N
Mol Weight 256.35 g/mol
Molecular Formula C16H20N2O
Exact Mass 256.157563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TFBqsUN0Be
Name (-)-9,10-Dihydroisosetoclavine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2O
InChI InChI=1S/C16H20N2O/c1-16(19)7-12-11-4-3-5-13-15(11)10(8-17-13)6-14(12)18(2)9-16/h3-5,8,12,14,17,19H,6-7,9H2,1-2H3/t12-,14-,16-/m1/s1
InChIKey PYBBWVXSIFAQEZ-XNRPHZJLSA-N
Molecular Weight 256.349 g/mol
SMILES [nH]1c2c3c([C@@]4([C@](N(C[C@@](C4)(O)C)C)(Cc3c1)[H])[H])ccc2
SPLASH splash10-0a4i-0490000000-7d94675958d8048574eb
Source of Spectrum H1-67-296-5
Wiley ID 1593419