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Pyrano[3,4-b]indol-3(9H)-one, 1-(4-pentynyl)-
SpectraBase Compound ID 9jZMcGiKdks
InChI InChI=1S/C16H13NO2/c1-2-3-4-9-14-16-12(10-15(18)19-14)11-7-5-6-8-13(11)17-16/h1,5-8,10,17H,3-4,9H2
InChIKey OTOPZEXHLMRWCR-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyaRmfZpYfj
Name Pyrano[3,4-b]indol-3(9H)-one, 1-(4-pentynyl)-
CAS Registry Number 116705-58-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-2-3-4-9-14-16-12(10-15(18)19-14)11-7-5-6-8-13(11)17-16/h1,5-8,10,17H,3-4,9H2
InChIKey OTOPZEXHLMRWCR-UHFFFAOYSA-N
Molecular Weight 251.285 g/mol
SMILES N1c2ccccc2C=2C1=C(OC(C2)=O)CCCC#C
SPLASH splash10-0a4i-2090000000-9e178730c0bcf0e0da9e
Source of Spectrum KC-1988-3250-5
Synonyms 1-(4-pentynyl)pyrano[3,4-b]indol-3(9H)-one 1-(pent-4-ynyl)pyrano[3,4-b]indol-3-one
Wiley ID 1254694