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(-)-3-O-acetylspectaline
SpectraBase Compound ID E7P1mxsuxsL
InChI InChI=1S/C22H41NO3/c1-18(24)14-12-10-8-6-4-5-7-9-11-13-15-21-16-17-22(19(2)23-21)26-20(3)25/h19,21-23H,4-17H2,1-3H3/t19-,21+,22-/m1/s1
InChIKey LRKWDKCSHJWJST-BAGYTPMASA-N
Mol Weight 367.6 g/mol
Molecular Formula C22H41NO3
Exact Mass 367.308644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ePR1un0rgL
Name (-)-3-O-acetylspectaline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H41NO3
InChI InChI=1S/C22H41NO3/c1-18(24)14-12-10-8-6-4-5-7-9-11-13-15-21-16-17-22(19(2)23-21)26-20(3)25/h19,21-23H,4-17H2,1-3H3/t19-,21+,22-/m1/s1
InChIKey LRKWDKCSHJWJST-BAGYTPMASA-N
Literature Reference DOI 10.1002/rcm.8172
Molecular Weight 367.574 g/mol
SMILES N1[C@@]([C@@](CC[C@@]1(CCCCCCCCCCCCC(=O)C)[H])(OC(=O)C)[H])(C)[H]
SPLASH splash10-0a4m-9510000000-5ce507b7e84167b96c2f
Source of Spectrum RCM-32-SM27-4
Synonyms (2R,3R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-yl acetate
Wiley ID 1813842