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1,3,4,5-Tetrahydro-4-[[(phenylmethoxy)carbonyl]amino]cyclooct[cd]indole-4-carboxylic Acid
SpectraBase Compound ID CsxSEUL6aB5
InChI InChI=1S/C22H20N2O4/c25-20(26)22(24-21(27)28-14-15-7-3-1-4-8-15)11-16-9-5-2-6-10-17-13-23-18(12-22)19(16)17/h1-10H,11-14H2,(H,24,27)(H,25,26)/b5-2-,6-2-,9-5-,10-6-,16-9-,17-10-
InChIKey VEKJHRKDZIIHFF-IXXTZLLVSA-N
Mol Weight 376.41 g/mol
Molecular Formula C22H20N2O4
Exact Mass 376.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6m2uJEjHXNn
Name 1,3,4,5-Tetrahydro-4-[[(phenylmethoxy)carbonyl]amino]cyclooct[cd]indole-4-carboxylic Acid
Comments Less than 3 mono-isotopic peaks
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Formula C22H20N2O4
InChI InChI=1S/C22H20N2O4/c25-20(26)22(24-21(27)28-14-15-7-3-1-4-8-15)11-16-9-5-2-6-10-17-13-23-18(12-22)19(16)17/h1-10H,11-14H2,(H,24,27)(H,25,26)/b5-2-,6-2-,9-5-,10-6-,16-9-,17-10-
InChIKey VEKJHRKDZIIHFF-IXXTZLLVSA-N
Molecular Weight 376.412 g/mol
SMILES N(C1(C(=O)O)CC2=NC\C=3C2=C(C1)\C=C/C=C\C/3)C(=O)OCc1ccccc1
SPLASH splash10-0006-9001000000-eeeca332dab00ad65cae
Source of Spectrum J-59-4422-17
Synonyms (Z)-9-Amino-2,8,9,10-tetrahydro-2-aza-cycloocta[cd]indene-9-carboxylic acid 9-{[(benzyloxy)carbonyl]amino}-2,8,9,10-tetrahydrocycloocta[cd]indole-9-carboxylic acid
Wiley ID 1357820