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(3S,3aS)-3a,7,7-trimethyl-3-phenyl-5,6-dihydro-3H-indene-2,4-dione
SpectraBase Compound ID 29HTGzZlpWB
InChI InChI=1S/C18H20O2/c1-17(2)10-9-15(20)18(3)14(17)11-13(19)16(18)12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3/t16-,18+/m1/s1
InChIKey MZYGLDSXPICRKC-AEFFLSMTSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J26jK9zGFU6
Name (3S,3aS)-3a,7,7-trimethyl-3-phenyl-5,6-dihydro-3H-indene-2,4-dione
Alternate Name(s) (3S,3aS)-3a,7,7-trimethyl-3-phenyl-5,6-dihydro-3H-indene-2,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-17(2)10-9-15(20)18(3)14(17)11-13(19)16(18)12-7-5-4-6-8-12/h4-8,11,16H,9-10H2,1-3H3/t16-,18+/m1/s1
InChIKey MZYGLDSXPICRKC-AEFFLSMTSA-N
Molecular Weight 268.356 g/mol
SMILES C=12[C@]([C@](c3ccccc3)(C(C1)=O)[H])(C(=O)CCC2(C)C)C
SPLASH splash10-0693-9400000000-e7cd41f505285eac3fcb
Source of Spectrum KC-61-12271-17
Wiley ID 1631711