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Indolizine, 3-[(2-ethyl-1,3-dithian-2-yl)methyl]octahydro-5-propyl-, (3.alpha.,5.alpha.,8a.alpha.)-
SpectraBase Compound ID 4TGR6HHtzsw
InChI InChI=1S/C18H33NS2/c1-3-7-15-8-5-9-16-10-11-17(19(15)16)14-18(4-2)20-12-6-13-21-18/h15-17H,3-14H2,1-2H3/t15-,16+,17-/m1/s1
InChIKey CICACBAEXYSZID-IXDOHACOSA-N
Mol Weight 327.6 g/mol
Molecular Formula C18H33NS2
Exact Mass 327.205442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EALloOf8bCK
Name Indolizine, 3-[(2-ethyl-1,3-dithian-2-yl)methyl]octahydro-5-propyl-, (3.alpha.,5.alpha.,8A.alpha.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.205442415 u
Formula C18H33NS2
InChI InChI=1S/C18H33NS2/c1-3-7-15-8-5-9-16-10-11-17(19(15)16)14-18(4-2)20-12-6-13-21-18/h15-17H,3-14H2,1-2H3/t15-,16+,17-/m1/s1
InChIKey CICACBAEXYSZID-IXDOHACOSA-N
Molecular Weight 327.589 g/mol
SMILES [C@@]1(N2[C@](CC1)(CCC[C@]2(CCC)[H])[H])(CC1(SCCCS1)CC)[H]