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Cyclohexanone, 2-[(dimethylamino)methyl]-3,4-dimethyl-3-(3-methyl-4-pentenyl)-, [3S-[3.alpha.(S*),4.beta.]]-
SpectraBase Compound ID 1ygNTVHs7NC
InChI InChI=1S/C17H31NO/c1-7-13(2)10-11-17(4)14(3)8-9-16(19)15(17)12-18(5)6/h7,13-15H,1,8-12H2,2-6H3/t13-,14+,15?,17-/m0/s1
InChIKey ONVROWZZIHTCPP-MYSGWJLTSA-N
Mol Weight 265.44 g/mol
Molecular Formula C17H31NO
Exact Mass 265.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41qz2A5pAU7
Name Cyclohexanone, 2-[(dimethylamino)methyl]-3,4-dimethyl-3-(3-methyl-4-pentenyl)-, [3S-[3.alpha.(S*),4.beta.]]-
CAS Registry Number 89088-86-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H31NO
InChI InChI=1S/C17H31NO/c1-7-13(2)10-11-17(4)14(3)8-9-16(19)15(17)12-18(5)6/h7,13-15H,1,8-12H2,2-6H3/t13-,14+,15?,17-/m0/s1
InChIKey ONVROWZZIHTCPP-MYSGWJLTSA-N
Molecular Weight 265.441 g/mol
SMILES C1([C@@](CC[C@](C=C)(C)[H])([C@](C)(CCC1=O)[H])C)CN(C)C
SPLASH splash10-00di-9030000000-0ea6e919239b07fb1890
Source of Spectrum C-107-2482-0
Synonyms (3S,4R)-2-((dimethylamino)methyl)-3,4-dimethyl-3(3(R)-methyl-4-pentenyl)cyclohexanone (3S,4R)-2-[(dimethylamino)methyl]-3,4-dimethyl-3-[(3R)-3-methyl-4-pentenyl]cyclohexanone
Wiley ID 1269191