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(3R,3aR)-1,2,3,4,5,6-Hexahydro-3-methyl-6-oxo-3aH-indene-3a-carbaldehyde
SpectraBase Compound ID 5Wfd429I5eS
InChI InChI=1S/C11H14O2/c1-8-2-3-9-6-10(13)4-5-11(8,9)7-12/h6-8H,2-5H2,1H3/t8-,11-/m1/s1
InChIKey DDINPEBRKSPKHY-LDYMZIIASA-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 7GPnEwAEZwz
Name (3R,3aR)-1,2,3,4,5,6-Hexahydro-3-methyl-6-oxo-3aH-indene-3a-carbaldehyde
Alternate Name(s) (3R,3aR)-3-methyl-6-oxo-1,2,3,4,5,6-hexahydro-3aH-indene-3a-carbaldehyde
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-8-2-3-9-6-10(13)4-5-11(8,9)7-12/h6-8H,2-5H2,1H3/t8-,11-/m1/s1
InChIKey DDINPEBRKSPKHY-LDYMZIIASA-N
Molecular Weight 178.231 g/mol
SMILES C1=2[C@@](CCC(C2)=O)([C@](C)(CC1)[H])C=O
SPLASH splash10-002b-0900000000-fec8eded04e8061a65a7
Source of Spectrum AJ-64-3737-9
Wiley ID 1174391