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LSRLIQNNCDCOJG-CDMKHQONSA-N
SpectraBase Compound ID 33jrSoED98J
InChI InChI=1S/C13H20O2/c1-8(2)11-5-4-9(3)13(15)7-10(14)6-12(11)13/h6,8-9,11,15H,4-5,7H2,1-3H3/t9-,11+,13+/m1/s1
InChIKey LSRLIQNNCDCOJG-CDMKHQONSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOFZ8KQMcAn
Name (4S,7R,7aS)-7-methyl-7a-oxidanyl-4-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-8(2)11-5-4-9(3)13(15)7-10(14)6-12(11)13/h6,8-9,11,15H,4-5,7H2,1-3H3/t9-,11+,13+/m1/s1
InChIKey LSRLIQNNCDCOJG-CDMKHQONSA-N
Molecular Weight 208.301 g/mol
SMILES O[C@@]12C([C@@](CC[C@]2(C)[H])(C(C)C)[H])=CC(=O)C1
SPLASH splash10-052f-9300000000-b6448a3c0b46732fd2e7
Source of Spectrum X2-68-1313-2
Synonyms (4S,7R,7aS)-7a-hydroxy-4-isopropyl-7-methyl-4,5,6,7-tetrahydro-1H-inden-2-one (4S,7R,7aS)-7a-hydroxy-7-methyl-4-propan-2-yl-4,5,6,7-tetrahydro-1H-inden-2-one
Wiley ID 1609701