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1,2,4-Metheno-3H-cyclobuta[cd]pentalene, 1,3-dioxane-4,6-dione deriv.
SpectraBase Compound ID K92p1K6OtjM
InChI InChI=1S/C16H16O4/c1-16(2)19-14(17)13(15(18)20-16)12-9-5-3-4-6-8(5)11(12)10(6)7(4)9/h4-11H,3H2,1-2H3/t4-,5+,6-,7?,8+,9?,10+,11+/m1/s1
InChIKey VRBJVSHVPMQLCX-DHODHWAYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cx8u0gIMIQx
Name 1,2,4-Metheno-3H-cyclobuta[cd]pentalene, 1,3-dioxane-4,6-dione deriv.
CAS Registry Number 72713-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-16(2)19-14(17)13(15(18)20-16)12-9-5-3-4-6-8(5)11(12)10(6)7(4)9/h4-11H,3H2,1-2H3/t4-,5+,6-,7?,8+,9?,10+,11+/m1/s1
InChIKey VRBJVSHVPMQLCX-DHODHWAYSA-N
Molecular Weight 272.300 g/mol
SMILES C1(=C2C3C4[C@@]5(C[C@]3([C@@]3([C@]2([C@]4([C@]53[H])[H])[H])[H])[H])[H])C(OC(OC1=O)(C)C)=O
SPLASH splash10-02td-3950000000-811cebdbd98afe6c80f0
Source of Spectrum B-32-1773-0
Synonyms 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(octahydro-1,2,4-metheno-3H-cyclobuta[cd]pentalen-3-ylidene)- 2,2-Dimethyl-5-(octahydro-1',2',4'-metheno-3'h,4-cyclobuta(cd)pentaten-3'-ylidene)-1,3-dioxan-4,6-dione 2,2-Dimethyl-5-pentacyclo[5.3.0.0(2,5).0(3,9).0(4,8)]dec-6-ylidene-1,3-dioxane-4,6-dione
Wiley ID 1276255