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9H-7,9a-Methano-1H-pyrano[3,4-c]oxepin-3,9(4H)-dione, 4a,7-dihydro-, (4a.alpha.,7.beta.,9a.beta.)-(.+-.)-
SpectraBase Compound ID KOZMi3OC1gh
InChI InChI=1S/C10H10O4/c11-8-3-6-1-2-7-4-10(6,5-13-8)9(12)14-7/h1-2,6-7H,3-5H2/t6-,7+,10+/m0/s1
InChIKey XANNRIOXOKXIGS-NYNCVSEMSA-N
Mol Weight 194.19 g/mol
Molecular Formula C10H10O4
Exact Mass 194.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2PGZ8bQWgD3
Name 9H-7,9a-Methano-1H-pyrano[3,4-c]oxepin-3,9(4H)-dione, 4a,7-dihydro-, (4a.alpha.,7.beta.,9a.beta.)-(.+-.)-
CAS Registry Number 74269-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H10O4
InChI InChI=1S/C10H10O4/c11-8-3-6-1-2-7-4-10(6,5-13-8)9(12)14-7/h1-2,6-7H,3-5H2/t6-,7+,10+/m0/s1
InChIKey XANNRIOXOKXIGS-NYNCVSEMSA-N
Molecular Weight 194.186 g/mol
SMILES [C@]123C(O[C@@](C3)(C=C[C@]1(CC(OC2)=O)[H])[H])=O
SPLASH splash10-0006-9000000000-25b487029bd18983b7f4
Source of Spectrum F-35-2395-0
Synonyms (1S,6R,9S)-3,10-dioxatricyclo[7.2.1.0(1,6)]dodec-7-ene-4,11-dione 3-Oxo-4a.alpha.,7,8,8a-tetrahydroisochromane-8a.alpha.-ylacetic acid.delta.-lactone
Wiley ID 1190404