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5-Cyano-6-methoxy-6,7-dihydro-5H-benzocycloheptene
SpectraBase Compound ID BZ9R27FYUgA
InChI InChI=1S/C13H13NO/c1-15-13-8-4-6-10-5-2-3-7-11(10)12(13)9-14/h2-7,12-13H,8H2,1H3
InChIKey BXQWOPKMHAPCQU-UHFFFAOYSA-N
Mol Weight 199.25 g/mol
Molecular Formula C13H13NO
Exact Mass 199.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E3XHqgtVGyA
Name 5-Cyano-6-methoxy-6,7-dihydro-5H-benzocycloheptene
Alternate Name(s) 6-Methoxy-6,7-dihydro-5H-benzo[a]cycloheptene-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO
InChI InChI=1S/C13H13NO/c1-15-13-8-4-6-10-5-2-3-7-11(10)12(13)9-14/h2-7,12-13H,8H2,1H3
InChIKey BXQWOPKMHAPCQU-UHFFFAOYSA-N
Molecular Weight 199.253 g/mol
SMILES C1(c2c(C=CCC1OC)cccc2)C#N
SPLASH splash10-014i-0900000000-c5ff523daa36dbd4456d
Source of Spectrum AJ-56-3454-6
Wiley ID 1196898