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trans-Thujone
SpectraBase Compound ID FYV3kvU0FL8
InChI InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m1/s1
InChIKey USMNOWBWPHYOEA-KHQFGBGNSA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HAd0h7Up2wQ
Name (1R,4R,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
Alternate Name(s) (1R,4R,5S)-4-methyl-1-propan-2-yl-3-bicyclo[3.1.0]hexanone (1R,4R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one (1R,4R,5S)-4-methyl-1-propan-2-yl-bicyclo[3.1.0]hexan-3-one
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Formula C10H16O
InChI InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m1/s1
InChIKey USMNOWBWPHYOEA-KHQFGBGNSA-N
Molecular Weight 152.237 g/mol
SMILES [C@]12([C@@]([C@@](C)(C(C2)=O)[H])([H])C1)C(C)C
SPLASH splash10-01q9-9600000000-b7a529e3cce027632a0f
Source of Spectrum F-41-4329-3
Wiley ID 1149842