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2-Benzyl-3-(methoxycarbonyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-1-propionic acid
SpectraBase Compound ID KMmPT9xseew
InChI InChI=1S/C23H24N2O4/c1-29-23(28)20-13-17-16-9-5-6-10-18(16)24-22(17)19(11-12-21(26)27)25(20)14-15-7-3-2-4-8-15/h2-10,19-20,24H,11-14H2,1H3,(H,26,27)
InChIKey PMVUROBEFZFLRD-UHFFFAOYSA-N
Mol Weight 392.46 g/mol
Molecular Formula C23H24N2O4
Exact Mass 392.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 446bdiP1rJV
Name 2-Benzyl-3-(methoxycarbonyl)-1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indole-1-propionic acid
CAS Registry Number 60702-97-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24N2O4
InChI InChI=1S/C23H24N2O4/c1-29-23(28)20-13-17-16-9-5-6-10-18(16)24-22(17)19(11-12-21(26)27)25(20)14-15-7-3-2-4-8-15/h2-10,19-20,24H,11-14H2,1H3,(H,26,27)
InChIKey PMVUROBEFZFLRD-UHFFFAOYSA-N
Molecular Weight 392.455 g/mol
SMILES OC(CCC1N(C(Cc2c1[nH]c1ccccc21)C(=O)OC)Cc1ccccc1)=O
SPLASH splash10-014i-0219000000-e00af04bc28415f0f1de
Source of Spectrum J-44-543-0
Synonyms 3-[2-benzyl-3-(methoxycarbonyl)-2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-yl]propanoic acid
Wiley ID 1365879