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trans-3,4,4a,8a-tetrahydro-8a-methylnaphthalene-1,6-(2H,5H)-dione
SpectraBase Compound ID JM90sP1mDl8
InChI InChI=1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h5-6,8H,2-4,7H2,1H3/t8-,11-/m0/s1
InChIKey ODAWEHVMAKSXDW-KWQFWETISA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HtTcpiKFBT
Name trans-3,4,4a,8a-tetrahydro-8a-methylnaphthalene-1,6-(2H,5H)-dione
Alternate Name(s) (4aS,8aR)-8a-methyl-3,4,4a,8a-tetrahydro-1,6(2H,5H)-naphthalenedione
CAS Registry Number 71099-14-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-11-6-5-9(12)7-8(11)3-2-4-10(11)13/h5-6,8H,2-4,7H2,1H3/t8-,11-/m0/s1
InChIKey ODAWEHVMAKSXDW-KWQFWETISA-N
Molecular Weight 178.231 g/mol
SMILES [C@]12(C=CC(C[C@@]2(CCCC1=O)[H])=O)C
SPLASH splash10-00c0-2900000000-5acf57ec0e1931199e3d
Source of Spectrum J-52-118-32
Wiley ID 1174343