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5-Isobenzofurancarbonitrile, 1,3,5,6-tetrahydro-4,7-dimethyl-
SpectraBase Compound ID 3bsntUsrOhL
InChI InChI=1S/C11H13NO/c1-7-3-9(4-12)8(2)11-6-13-5-10(7)11/h9H,3,5-6H2,1-2H3
InChIKey TVJDVFDQYAKXQD-UHFFFAOYSA-N
Mol Weight 175.23 g/mol
Molecular Formula C11H13NO
Exact Mass 175.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AeYEPAkMEg
Name 5-Isobenzofurancarbonitrile, 1,3,5,6-tetrahydro-4,7-dimethyl-
CAS Registry Number 116938-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO
InChI InChI=1S/C11H13NO/c1-7-3-9(4-12)8(2)11-6-13-5-10(7)11/h9H,3,5-6H2,1-2H3
InChIKey TVJDVFDQYAKXQD-UHFFFAOYSA-N
Molecular Weight 175.231 g/mol
SMILES C1=2C(=C(C)CC(C2C)C#N)COC1
SPLASH splash10-004i-0900000000-c2f3faa135da7e48b9ee
Source of Spectrum KC-1988-1367-5
Synonyms 4,7-Dimethyl-1,3,5,6-tetrahydro-2-benzofuran-5-carbonitrile 5-Cyano-4,7-dimethyl-1,3,5,6-tetrahydroisobenzofuran
Wiley ID 1171624