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N-Methyl-seco-agroclavin
SpectraBase Compound ID BxPMtBNUryU
InChI InChI=1S/C16H20N2/c1-10(2)7-13-12-5-4-6-14-16(12)11(9-18-14)8-15(13)17-3/h4-7,9,13,15,17-18H,8H2,1-3H3/t13-,15-/m0/s1
InChIKey NGJMPUDCQIYVMS-ZFWWWQNUSA-N
Mol Weight 240.35 g/mol
Molecular Formula C16H20N2
Exact Mass 240.162649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ABxVOg9hMSY
Name N-Methyl-seco-agroclavin
CAS Registry Number 75363-29-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2
InChI InChI=1S/C16H20N2/c1-10(2)7-13-12-5-4-6-14-16(12)11(9-18-14)8-15(13)17-3/h4-7,9,13,15,17-18H,8H2,1-3H3/t13-,15-/m0/s1
InChIKey NGJMPUDCQIYVMS-ZFWWWQNUSA-N
Molecular Weight 240.350 g/mol
SMILES [nH]1c2c3c([C@@]([C@](Cc3c1)(NC)[H])(C=C(C)C)[H])ccc2
SPLASH splash10-052u-4920000000-33281507ebda1e4c18dd
Source of Spectrum CS-5-137-23
Synonyms Benz[cd]indol-4-amine, 1,3,4,5-tetrahydro-N-methyl-5-(2-methyl-1-propenyl)-, trans-(.+-.)- (+-)-6,7-Seco-agroclavine (4S,5S)-N-methyl-5-(2-methyl-1-propenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine N-methyl-N-[(4S,5S)-5-(2-methyl-1-propenyl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl]amine
Wiley ID 1243592