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TAMBJAMINE-I-ACETATE
SpectraBase Compound ID Kbf8yhAxOFg
InChI InChI=1S/C14H18BrN3O.C2H4O2/c1-9(2)7-16-8-12-13(19-3)6-11(17-12)10-4-5-14(15)18-10;1-2(3)4/h4-6,8-9,16,18H,7H2,1-3H3;1H3,(H,3,4)/b12-8-;
InChIKey KNANDDYDHRYNKD-JCTPKUEWSA-N
Mol Weight 384.27 g/mol
Molecular Formula C16H22BrN3O3
Exact Mass 383.084455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiW6MrIELFb
Name Tambjamine I
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22BrN3O3
InChI InChI=1S/C14H18BrN3O.C2H4O2/c1-9(2)7-16-8-12-13(19-3)6-11(17-12)10-4-5-14(15)18-10;1-2(3)4/h4-6,8-9,16,18H,7H2,1-3H3;1H3,(H,3,4)/b12-8-;
InChIKey KNANDDYDHRYNKD-JCTPKUEWSA-N
Literature Reference DOI 10.1021/ol7024313
Molecular Weight 384.274 g/mol
SMILES CC([O-])=O.[nH]1c(ccc1C=1C=C(OC)\C(=C\NCC(C)C)[NH+]1)Br
SPLASH splash10-001i-9032000000-fd8557aeac4fb306924e
Source of Spectrum A1-9-5127/SMS17-10
Synonyms (Z)-5-bromo-5'-((isobutylamino)methylene)-4'-methoxy-1H,5'H-[2,2'-bipyrrol]-1'-ium acetate Acetic acid;N-[(Z)-[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxy-2-pyrrolylidene]methyl]-2-methyl-1-propanamine Acetic acid;N-[(Z)-[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxypyrrol-2-ylidene]methyl]-2-methylpropan-1-amine Acetic acid;N-[(Z)-[5-(5-bromo-1H-pyrrol-2-yl)-3-methoxy-pyrrol-2-ylidene]methyl]-2-methyl-propan-1-amine N-[(Z)-[5-(5-bromanyl-1H-pyrrol-2-yl)-3-methoxy-pyrrol-2-ylidene]methyl]-2-methyl-propan-1-amine;ethanoic acid
Wiley ID 1758869