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2,1-Benzisoxazole, 3,5-dimethyl-
SpectraBase Compound ID KgSUM9azrIf
InChI InChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)7(2)11-10-9/h3-5H,1-2H3
InChIKey MPSKLTCLUZMDTL-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 9UGbbiOsAyQ
Name 2,1-Benzisoxazole, 3,5-dimethyl-
CAS Registry Number 38968-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO
InChI InChI=1S/C9H9NO/c1-6-3-4-9-8(5-6)7(2)11-10-9/h3-5H,1-2H3
InChIKey MPSKLTCLUZMDTL-UHFFFAOYSA-N
Molecular Weight 147.177 g/mol
SMILES c12c(noc2C)ccc(c1)C
SPLASH splash10-004j-9600000000-8e1ee574d813f5e197ec
Source of Spectrum H-62-321-0
Synonyms 3,5-Dimethyl-1,2-benzisoxazole 3,5-Dimethyl-2,1-benzisoxazole 3,5-Dimethyl-2,1-benzoxazole
Wiley ID 1144886