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Benzeneacetic acid, (2-oxobenz[cd]indol-1(2H)-yl)methyl ester
SpectraBase Compound ID CzBfYuSLzoN
InChI InChI=1S/C20H15NO3/c22-18(12-14-6-2-1-3-7-14)24-13-21-17-11-5-9-15-8-4-10-16(19(15)17)20(21)23/h1-11H,12-13H2
InChIKey VGXSEFIJWDJSBQ-UHFFFAOYSA-N
Mol Weight 317.34 g/mol
Molecular Formula C20H15NO3
Exact Mass 317.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YbMFzus4X3
Name Benzeneacetic acid, (2-oxobenz[cd]indol-1(2H)-yl)methyl ester
CAS Registry Number 114044-40-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H15NO3
InChI InChI=1S/C20H15NO3/c22-18(12-14-6-2-1-3-7-14)24-13-21-17-11-5-9-15-8-4-10-16(19(15)17)20(21)23/h1-11H,12-13H2
InChIKey VGXSEFIJWDJSBQ-UHFFFAOYSA-N
Molecular Weight 317.344 g/mol
SMILES C1(N(c2c3c(cccc13)ccc2)COC(=O)Cc1ccccc1)=O
SPLASH splash10-001i-1901000000-9992025474bf48e3c2aa
Source of Spectrum Y-24-1385-20
Synonyms Benz[cd]indole, benzeneacetic acid deriv. (2-oxobenzo[cd]indol-1(2H)-yl)methyl phenylacetate Benz[c,d]indol-1-ylmethyl phenylacetate 2-Phenylacetic acid (2-oxo-1-benzo[cd]indolyl)methyl ester (2-oxobenzo[cd]indol-1-yl)methyl 2-phenylacetate (2-oxidanylidenebenzo[cd]indol-1-yl)methyl 2-phenylethanoate
Wiley ID 1317828