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1,2,4,5-Tetrahydro-2,2-dimethyl-3-benzoxepine
SpectraBase Compound ID INOmjXTeiL3
InChI InChI=1S/C12H16O/c1-12(2)9-11-6-4-3-5-10(11)7-8-13-12/h3-6H,7-9H2,1-2H3
InChIKey MCWRAETUOMRPRG-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXPLArsiD9y
Name 1,2,4,5-Tetrahydro-2,2-dimethyl-3-benzoxepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-12(2)9-11-6-4-3-5-10(11)7-8-13-12/h3-6H,7-9H2,1-2H3
InChIKey MCWRAETUOMRPRG-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES c12CC(OCCc2cccc1)(C)C
SPLASH splash10-014i-4900000000-37c289eda70e023734cf
Source of Spectrum F-51-3372-5
Synonyms 2,2-Dimethyl-1,2,4,5-tetrahydro-3-benzoxepin
Wiley ID 791543