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1,4,6(5H)-Naphthalenetrione, 4a,8a-dihydro-3,8,8a-trimethyl-, cis-
SpectraBase Compound ID 2oBrD89AVZz
InChI InChI=1S/C13H14O3/c1-7-4-11(15)13(3)8(2)5-9(14)6-10(13)12(7)16/h4-5,10H,6H2,1-3H3/t10-,13-/m1/s1
InChIKey BRPXDKASJGQIFV-ZWNOBZJWSA-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 FttIrql4Qnf
Name 1,4,6(5H)-Naphthalenetrione, 4a,8a-dihydro-3,8,8a-trimethyl-, cis-
CAS Registry Number 80114-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-7-4-11(15)13(3)8(2)5-9(14)6-10(13)12(7)16/h4-5,10H,6H2,1-3H3/t10-,13-/m1/s1
InChIKey BRPXDKASJGQIFV-ZWNOBZJWSA-N
Molecular Weight 218.252 g/mol
SMILES [C@@]12([C@@](C(=O)C(=CC2=O)C)(CC(C=C1C)=O)[H])C
SPLASH splash10-014i-9360000000-746ef89ac64a2d2d9f2c
Source of Spectrum I-59-2669-0
Synonyms (4aS,8aS)-3,8,8a-trimethyl-4a,8a-dihydro-1,4,6(5H)-naphthalenetrione cis-3,6,7-trimethylbicylo[4.4.0]deca-3,7-diene-2,5,9-trione
Wiley ID 1217701