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Benz[cd]indole, hexanoic acid deriv.
SpectraBase Compound ID FmPHfWNd9IG
InChI InChI=1S/C18H19NO3/c1-2-3-4-11-16(20)22-12-19-15-10-6-8-13-7-5-9-14(17(13)15)18(19)21/h5-10H,2-4,11-12H2,1H3
InChIKey SBWNJNRNYRUMTM-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gcy6UfQFNY
Name Benz[cd]indole, hexanoic acid deriv.
CAS Registry Number 114044-35-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-2-3-4-11-16(20)22-12-19-15-10-6-8-13-7-5-9-14(17(13)15)18(19)21/h5-10H,2-4,11-12H2,1H3
InChIKey SBWNJNRNYRUMTM-UHFFFAOYSA-N
Molecular Weight 297.354 g/mol
SMILES C1(N(c2c3c(cccc13)ccc2)COC(=O)CCCCC)=O
SPLASH splash10-01vo-9000000000-b7b9ae9b89d8225610a9
Source of Spectrum Y-24-1385-20
Synonyms Hexanoic acid, (2-oxobenz[cd]indol-1(2H)-yl)methyl ester (2-oxobenzo[cd]indol-1(2H)-yl)methyl hexanoate Benz[c,d]indol-1-ylmethyl hexanoate Hexanoic acid (2-oxo-1-benzo[cd]indolyl)methyl ester (2-oxobenzo[cd]indol-1-yl)methyl hexanoate (2-oxidanylidenebenzo[cd]indol-1-yl)methyl hexanoate
Wiley ID 1300258