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5,8-Epoxy-1H-benzocycloheptene, 2,3,5,8-tetrahydro-5,8-dimethyl-
SpectraBase Compound ID I3ViDjYM0L3
InChI InChI=1S/C13H16O/c1-12-7-8-13(2,14-12)11-6-4-3-5-10(11)9-12/h6-9H,3-5H2,1-2H3
InChIKey LXUYKDFFIOZXEI-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 TF4auhGboe
Name 5,8-Epoxy-1H-benzocycloheptene, 2,3,5,8-tetrahydro-5,8-dimethyl-
Alternate Name(s) 1,9-Dimethyl-12-oxatricyclo[7.2.1.0(2,7)]dodeca-2,7,10-triene
CAS Registry Number 98229-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O
InChI InChI=1S/C13H16O/c1-12-7-8-13(2,14-12)11-6-4-3-5-10(11)9-12/h6-9H,3-5H2,1-2H3
InChIKey LXUYKDFFIOZXEI-UHFFFAOYSA-N
Molecular Weight 188.270 g/mol
SMILES C12(C=3C(CCCC3)=CC(O1)(C)C=C2)C
SPLASH splash10-0002-0900000000-69edb5a1b44e6bae8170
Source of Spectrum K-118-2908-11
Wiley ID 1185199