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trans-1-Isobutyl-7-methoxy-3-metyhoxycarbinyl-1,2,3,4-tetrahydro-.beta.-carboline
SpectraBase Compound ID 8LzHM87NS7L
InChI InChI=1S/C18H24N2O3/c1-10(2)7-15-17-13(9-16(19-15)18(21)23-4)12-6-5-11(22-3)8-14(12)20-17/h5-6,8,10,15-16,19-20H,7,9H2,1-4H3/t15-,16+/m1/s1
InChIKey GFAFAJSUIGSPDS-CVEARBPZSA-N
Mol Weight 316.4 g/mol
Molecular Formula C18H24N2O3
Exact Mass 316.178693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrQP9gVDOPp
Name trans-1-Isobutyl-7-methoxy-3-metyhoxycarbinyl-1,2,3,4-tetrahydro-.beta.-carboline
Alternate Name(s) (1R,3S)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester methyl (1R,3S)-1-isobutyl-7-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate methyl (1R,3S)-7-methoxy-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N2O3
InChI InChI=1S/C18H24N2O3/c1-10(2)7-15-17-13(9-16(19-15)18(21)23-4)12-6-5-11(22-3)8-14(12)20-17/h5-6,8,10,15-16,19-20H,7,9H2,1-4H3/t15-,16+/m1/s1
InChIKey GFAFAJSUIGSPDS-CVEARBPZSA-N
Molecular Weight 316.401 g/mol
SMILES [nH]1c2c(c3C[C@](N[C@@](c13)(CC(C)C)[H])(C(=O)OC)[H])ccc(c2)OC
SPLASH splash10-0a4i-0093000000-ed31c969477f025b3e2e
Source of Spectrum E1-37-31-42
Wiley ID 1517529