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5H-Naphtho[1,2-e]-1,4-dioxepin-5-one, 2,3,5a,6,7,11b-hexahydro-, cis-
SpectraBase Compound ID 1bRWNd27JyA
InChI InChI=1S/C13H14O3/c14-13-11-6-5-9-3-1-2-4-10(9)12(11)15-7-8-16-13/h1-4,11-12H,5-8H2/t11-,12+/m0/s1
InChIKey GKPQLTJKAFNIMI-NWDGAFQWSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CyzcCLkNaS
Name 5H-Naphtho[1,2-e]-1,4-dioxepin-5-one, 2,3,5a,6,7,11b-hexahydro-, cis-
CAS Registry Number 121625-12-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c14-13-11-6-5-9-3-1-2-4-10(9)12(11)15-7-8-16-13/h1-4,11-12H,5-8H2/t11-,12+/m0/s1
InChIKey GKPQLTJKAFNIMI-NWDGAFQWSA-N
Molecular Weight 218.252 g/mol
SMILES [C@@]12([C@@](c3ccccc3CC2)(OCCOC1=O)[H])[H]
SPLASH splash10-05rr-1920000000-76c548f76c0865e4cc29
Source of Spectrum F-44-5949-49
Synonyms (1',2',3',4'-tetrahydronaphtho[b]-1,4-dioxacycloheptan-5-one (5aS,11bS)-2,3,5a,6,7,11b-hexahydro-5H-naphtho[1,2-e][1,4]dioxepin-5-one
Wiley ID 1217719