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(1S, 2R, 5R, 6S)-6-Acetylamino-1,2-O-isopropylidene-5-chloro-3-cyclohexylcyclohex-3-ene-1,2-diol
SpectraBase Compound ID 3eAnGi4DpbK
InChI InChI=1S/C17H26ClNO3/c1-10(20)19-14-13(18)9-12(11-7-5-4-6-8-11)15-16(14)22-17(2,3)21-15/h9,11,13-16H,4-8H2,1-3H3,(H,19,20)/t13-,14-,15-,16+/m1/s1
InChIKey HTYLCFQVQVGNGR-FPCVCCKLSA-N
Mol Weight 327.85 g/mol
Molecular Formula C17H26ClNO3
Exact Mass 327.160121 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EcI832KYSOJ
Name (1S, 2R, 5R, 6S)-6-Acetylamino-1,2-O-isopropylidene-5-chloro-3-cyclohexylcyclohex-3-ene-1,2-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26ClNO3
InChI InChI=1S/C17H26ClNO3/c1-10(20)19-14-13(18)9-12(11-7-5-4-6-8-11)15-16(14)22-17(2,3)21-15/h9,11,13-16H,4-8H2,1-3H3,(H,19,20)/t13-,14-,15-,16+/m1/s1
InChIKey HTYLCFQVQVGNGR-FPCVCCKLSA-N
Molecular Weight 327.852 g/mol
SMILES N([C@]1([C@]2([C@@](C(C3CCCCC3)=C[C@]1(Cl)[H])(OC(O2)(C)C)[H])[H])[H])C(=O)C
SPLASH splash10-004l-6790000000-caa79a99c100cd5f61cb
Source of Spectrum F-66-3767-39
Synonyms N-((3aS,4S,5R,7aR)-5-Chloro-7-cyclohexyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-benzo[1,3]dioxol-4-yl)-acetamide
Wiley ID 1685405