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2,1-Benzisoxazole
SpectraBase Compound ID Ag3479wQJT9
InChI InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H
InChIKey FZKCAHQKNJXICB-UHFFFAOYSA-N
Mol Weight 119.12 g/mol
Molecular Formula C7H5NO
Exact Mass 119.037114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaR8MFiE6wO
Name Anthranil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NO
InChI InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-9-8-7/h1-5H
InChIKey FZKCAHQKNJXICB-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010Ultra
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c02017
Molecular Weight 119.123 g/mol
Quality 792
SMILES C1=CC=2C(C=C1)=NOC2
SPLASH splash10-0296-9300000000-8c2cc69313e80eaca148
Source of Spectrum JOC-87-SM15-7 (DOI: 10.1021/acs.joc.1c02017)
Wiley ID 1892584