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anti-10-tert-butoxy-5,6,8,9-tetrahydro-5,9-methano-7H-benzocyclohepten-7-one
SpectraBase Compound ID Fk2JvQCTWwT
InChI InChI=1S/C16H20O2/c1-16(2,3)18-15-13-8-10(17)9-14(15)12-7-5-4-6-11(12)13/h4-7,13-15H,8-9H2,1-3H3
InChIKey CKAJGUHXRVNAGL-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K0RafQCpwMI
Name anti-10-tert-butoxy-5,6,8,9-tetrahydro-5,9-methano-7H-benzocyclohepten-7-one
CAS Registry Number 125023-48-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-16(2,3)18-15-13-8-10(17)9-14(15)12-7-5-4-6-11(12)13/h4-7,13-15H,8-9H2,1-3H3
InChIKey CKAJGUHXRVNAGL-UHFFFAOYSA-N
Molecular Weight 244.334 g/mol
SMILES C1(C2c3ccccc3C1CC(=O)C2)OC(C)(C)C
SPLASH splash10-0a6r-6900000000-b4051506384679eb30d2
Source of Spectrum J-55-1670-16
Synonyms 12-tert-butoxytricyclo[6.3.1.0(2,7)]dodeca-2,4,6-trien-10-one
Wiley ID 1247459