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1,4-Epoxy-1H-benzocycloheptene, 4,6,7,8-tetrahydro-1,4-dimethyl-
SpectraBase Compound ID ETyd9CBDVZD
InChI InChI=1S/C13H16O/c1-12-8-9-13(2,14-12)11-7-5-3-4-6-10(11)12/h6-9H,3-5H2,1-2H3
InChIKey DJLNPCMMNGCWSE-UHFFFAOYSA-N
Mol Weight 188.27 g/mol
Molecular Formula C13H16O
Exact Mass 188.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mFetL4ALfU
Name 1,4-Epoxy-1H-benzocycloheptene, 4,6,7,8-tetrahydro-1,4-dimethyl-
Alternate Name(s) 1,9-Dimethyl-12-oxatricyclo[7.2.1.0(2,8)]dodeca-2,7,10-triene
CAS Registry Number 86661-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-12-8-9-13(2,14-12)11-7-5-3-4-6-10(11)12/h6-9H,3-5H2,1-2H3
InChIKey DJLNPCMMNGCWSE-UHFFFAOYSA-N
Molecular Weight 188.270 g/mol
SMILES C12(C=3C(=CCCCC3)C(O1)(C)C=C2)C
SPLASH splash10-0005-3900000000-ef2ab2555e6548826f30
Source of Spectrum K-116-2302-0
Wiley ID 1185140