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2-Propynyl n-octylphthalamate
SpectraBase Compound ID KxBo7cNzbFH
InChI InChI=1S/C19H25NO3/c1-3-5-6-7-8-11-14-20-18(21)16-12-9-10-13-17(16)19(22)23-15-4-2/h2,9-10,12-13H,3,5-8,11,14-15H2,1H3,(H,20,21)
InChIKey MQTUWOFPAHLUFF-UHFFFAOYSA-N
Mol Weight 315.41 g/mol
Molecular Formula C19H25NO3
Exact Mass 315.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JCWhQBRid9l
Name 2-Propynyl n-octylphthalamate
CAS Registry Number 299201-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO3
InChI InChI=1S/C19H25NO3/c1-3-5-6-7-8-11-14-20-18(21)16-12-9-10-13-17(16)19(22)23-15-4-2/h2,9-10,12-13H,3,5-8,11,14-15H2,1H3,(H,20,21)
InChIKey MQTUWOFPAHLUFF-UHFFFAOYSA-N
Molecular Weight 315.413 g/mol
SMILES N(C(c1ccccc1C(=O)OCC#C)=O)CCCCCCCC
SPLASH splash10-052o-8910000000-bce22426faa7bca06e21
Source of Spectrum CM-1999-1109-0
Synonyms O-2-Propynyl N-n-octylphthalamate 2-(octylcarbamoyl)benzoic acid propargyl ester 2-[(octylamino)-oxomethyl]benzoic acid prop-2-ynyl ester 2-Propynyl 2-[(octylamino)carbonyl]benzoate Prop-2-ynyl 2-(octylcarbamoyl)benzoate
Wiley ID 463463