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2-methyl-3-(octyloxy)isoindolin-1-one
SpectraBase Compound ID 7ixnwbtm7o4
InChI InChI=1S/C17H25NO2/c1-3-4-5-6-7-10-13-20-17-15-12-9-8-11-14(15)16(19)18(17)2/h8-9,11-12,17H,3-7,10,13H2,1-2H3
InChIKey JOTREKVDUMYSFT-UHFFFAOYSA-N
Mol Weight 275.39 g/mol
Molecular Formula C17H25NO2
Exact Mass 275.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2W4tEttSyZk
Name 2-methyl-3-(octyloxy)isoindolin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO2
InChI InChI=1S/C17H25NO2/c1-3-4-5-6-7-10-13-20-17-15-12-9-8-11-14(15)16(19)18(17)2/h8-9,11-12,17H,3-7,10,13H2,1-2H3
InChIKey JOTREKVDUMYSFT-UHFFFAOYSA-N
Instrument Name Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201508575
Molecular Weight 275.392 g/mol
Quality 73
Reported Formula C17H25O2N
SMILES CN1C(C2=C(C1OCCCCCCCC)C=CC=C2)=O
SPLASH splash10-0002-0900000000-1248c8fc06cc269ba76a
Source of Spectrum ACI-55-SM21-8d (DOI: 10.1002/anie.201508575)
Wiley ID 1895072