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(1S,7S)-3,11-Dioxatricyclo[5.3.1.0(1,5)]undecan-8,10-dione

View entire compound with spectra: 1 MS (GC)

(1S,7S)-3,11-Dioxatricyclo[5.3.1.0(1,5)]undecan-8,10-dione
SpectraBase Compound ID 6D7ihFfyFsm
InChI InChI=1S/C9H8O4/c10-6-2-8(11)9-4-12-3-5(9)1-7(6)13-9/h1,7H,2-4H2/t7-,9+/m0/s1
InChIKey VDYRDPXUICJQQB-IONNQARKSA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CCo42HzlgyO
Name (1S,7S)-3,11-Dioxatricyclo[5.3.1.0(1,5)]undecan-8,10-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-6-2-8(11)9-4-12-3-5(9)1-7(6)13-9/h1,7H,2-4H2/t7-,9+/m0/s1
InChIKey VDYRDPXUICJQQB-IONNQARKSA-N
Molecular Weight 180.159 g/mol
SMILES [C@]123C(=C[C@](O3)(C(CC1=O)=O)[H])COC2
SPLASH splash10-03di-0900000000-7aa21bf77930497335a4
Source of Spectrum KC-61-3031-29
Synonyms (1S,7S)-3,11-dioxatricyclo[5.3.1.0(1,5)]undec-5-ene-8,10-dione 3,11-Dioxatricyclo[5.3.1.0(1,5)]undecan-8,10-dione
Wiley ID 1628295