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(1R,3R)-Methyl 1-(3-acetoxy-4-methoxyphenyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylate
SpectraBase Compound ID BBNRtrAKUfz
InChI InChI=1S/C22H22N2O5/c1-12(25)29-19-10-13(8-9-18(19)27-2)20-21-15(11-17(24-20)22(26)28-3)14-6-4-5-7-16(14)23-21/h4-10,17,20,23-24H,11H2,1-3H3/t17-,20-/m1/s1
InChIKey MSRVJSOESPTTOD-YLJYHZDGSA-N
Mol Weight 394.43 g/mol
Molecular Formula C22H22N2O5
Exact Mass 394.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C83oWepFCqm
Name (1R,3R)-Methyl 1-(3-acetoxy-4-methoxyphenyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O5
InChI InChI=1S/C22H22N2O5/c1-12(25)29-19-10-13(8-9-18(19)27-2)20-21-15(11-17(24-20)22(26)28-3)14-6-4-5-7-16(14)23-21/h4-10,17,20,23-24H,11H2,1-3H3/t17-,20-/m1/s1
InChIKey MSRVJSOESPTTOD-YLJYHZDGSA-N
Molecular Weight 394.427 g/mol
SMILES [nH]1c2ccccc2c2c1[C@](N[C@](C2)(C(=O)OC)[H])(c1cc(OC(=O)C)c(cc1)OC)[H]
SPLASH splash10-052f-0029000000-a60f38b1ee62c9b8858b
Source of Spectrum QC-22-1869-2d
Wiley ID 1691489