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2-(2-tert-butoxy-2-oxoeth-1-yl)-7-[2-(1,3-dioxolan-2-yl)ethyl]cyclohepta-3,5-dien-1-one
SpectraBase Compound ID HnZyToPMzZ0
InChI InChI=1S/C18H26O5/c1-18(2,3)23-15(19)12-14-7-5-4-6-13(17(14)20)8-9-16-21-10-11-22-16/h4-7,13-14,16H,8-12H2,1-3H3
InChIKey QHFZDSFBCMPRPG-UHFFFAOYSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1gJRzSXUs4e
Name 2-(2-tert-butoxy-2-oxoeth-1-yl)-7-[2-(1,3-dioxolan-2-yl)ethyl]cyclohepta-3,5-dien-1-one
CAS Registry Number 115912-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-18(2,3)23-15(19)12-14-7-5-4-6-13(17(14)20)8-9-16-21-10-11-22-16/h4-7,13-14,16H,8-12H2,1-3H3
InChIKey QHFZDSFBCMPRPG-UHFFFAOYSA-N
Molecular Weight 322.401 g/mol
SMILES C1(C(CC(OC(C)(C)C)=O)C=CC=CC1CCC1OCCO1)=O
SPLASH splash10-05fr-9000000000-561b662158b28f5023c4
Source of Spectrum J-53-4597-0
Synonyms tert-Butyl {6-[2-(1,3-dioxolan-2-yl)ethyl]-7-oxo-2,4-cycloheptadien-1-yl}acetate
Wiley ID 1321712