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(3aR,4E,9aS,9bR)-4-ethylidene-6,7,8,9,9a,9b-hexahydro-3aH-benzo[e]isobenzofuran-1,3-dione
SpectraBase Compound ID 1YcNifJWxrN
InChI InChI=1S/C14H16O3/c1-2-8-7-9-5-3-4-6-10(9)12-11(8)13(15)17-14(12)16/h2,7,10-12H,3-6H2,1H3/b8-2+/t10-,11+,12-/m1/s1
InChIKey UZXQFYWFGAPZKO-GGSYWDITSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GIPIsXzUkI
Name (3aR,4E,9aS,9bR)-4-ethylidene-6,7,8,9,9a,9b-hexahydro-3aH-benzo[e]isobenzofuran-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-2-8-7-9-5-3-4-6-10(9)12-11(8)13(15)17-14(12)16/h2,7,10-12H,3-6H2,1H3/b8-2+/t10-,11+,12-/m1/s1
InChIKey UZXQFYWFGAPZKO-GGSYWDITSA-N
Molecular Weight 232.279 g/mol
SMILES C1(OC(=O)[C@]2(\C(=C\C)C=C3[C@]([C@@]12[H])(CCCC3)[H])[H])=O
SPLASH splash10-0a59-0980000000-c1e86c6d6fa081940c68
Source of Spectrum F-68-7849-14
Synonyms (3aR,4E,9aS,9bR)-4-ethylidene-6,7,8,9,9a,9b-hexahydro-3aH-benzo[e][2]benzofuran-1,3-dione (3aR,4E,9aS,9bR)-4-ethylidene-6,7,8,9,9a,9b-hexahydro-3aH-benz[e]isobenzofuran-1,3-quinone
Wiley ID 1573506