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3,4-Dihydro-1(2H)-isoquinolinone

View entire compound with spectra: 2 MS (GC)

3,4-Dihydro-1(2H)-isoquinolinone
SpectraBase Compound ID 4mdncTDMO22
InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
InChIKey YWPMKTWUFVOFPL-UHFFFAOYSA-N
Mol Weight 147.18 g/mol
Molecular Formula C9H9NO
Exact Mass 147.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ED1xeHnC8J
Name 3,4-Dihydroisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 147.068413913 u
Formula C9H9NO
GC Column InertCap-5
InChI InChI=1S/C9H9NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-4H,5-6H2,(H,10,11)
InChIKey YWPMKTWUFVOFPL-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/anie.201602695
Quality 267
SMILES N1CCC=2C=CC=CC2C1=O
SPLASH splash10-014m-5900000000-427bc71d77925e011183
Source of Spectrum ACI-55-SM4-2f (DOI: 10.1002/anie.201602695)
Wiley ID 1900901