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6.alpha.-isopropyl-trans-2-decalone
SpectraBase Compound ID D9hmgTStDDn
InChI InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3/t10-,11+,12+/m1/s1
InChIKey HEKJOMVJRYMUDB-WOPDTQHZSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlG4FgtInCg
Name 6.alpha.-isopropyl-trans-2-decalone
Alternate Name(s) 6.alpha.-isopropyl-cis-2-decalone (4aS,6R,8aS)-6-isopropyloctahydro-2(1H)-naphthalenone
CAS Registry Number 115305-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-9(2)10-3-4-12-8-13(14)6-5-11(12)7-10/h9-12H,3-8H2,1-2H3/t10-,11+,12+/m1/s1
InChIKey HEKJOMVJRYMUDB-WOPDTQHZSA-N
Molecular Weight 194.318 g/mol
SMILES [C@]12([C@](CC(CC2)=O)(CC[C@](C1)(C(C)C)[H])[H])[H]
SPLASH splash10-00kf-9200000000-154630b765077bc89398
Source of Spectrum J-53-3831-13
Wiley ID 1191482