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rel-(4aS,8S,8aR)-3,4,4a,5,6,7,8,8a-Octahydro-4a-methyl-5-oxo-8-(1-methylethyl)naphthalene-2-carboxaldehyde
SpectraBase Compound ID 3TT1PKjvNdH
InChI InChI=1S/C15H22O2/c1-10(2)12-4-5-14(17)15(3)7-6-11(9-16)8-13(12)15/h8-10,12-13H,4-7H2,1-3H3/t12-,13-,15-/m0/s1
InChIKey VKUYCCPIQATDME-YDHLFZDLSA-N
Mol Weight 234.34 g/mol
Molecular Formula C15H22O2
Exact Mass 234.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZDLb7igFIL
Name rel-(4aS,8S,8aR)-3,4,4a,5,6,7,8,8a-Octahydro-4a-methyl-5-oxo-8-(1-methylethyl)naphthalene-2-carboxaldehyde
Alternate Name(s) Cosmosaldehyde (4aS,8S,8aR)-8-isopropyl-4a-methyl-5-oxo-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2
InChI InChI=1S/C15H22O2/c1-10(2)12-4-5-14(17)15(3)7-6-11(9-16)8-13(12)15/h8-10,12-13H,4-7H2,1-3H3/t12-,13-,15-/m0/s1
InChIKey VKUYCCPIQATDME-YDHLFZDLSA-N
Molecular Weight 234.339 g/mol
SMILES C1=C(CC[C@@]2(C(CC[C@]([C@]12[H])(C(C)C)[H])=O)C)C=O
SPLASH splash10-0f6x-0910000000-78a9ade7329c74012932
Source of Spectrum H-93-756-2
Wiley ID 1783947