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Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-a]indolizin]-4'(3'aH)-one, 9'-(1,3-dithian-2-ylidene)hexahydro-, [3'aS-(3'a.alpha.,9'a.beta.,9'b.alpha.)]-

View entire compound with spectra: 1 MS (GC)

Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-a]indolizin]-4'(3'aH)-one, 9'-(1,3-dithian-2-ylidene)hexahydro-, [3'aS-(3'a.alpha.,9'a.beta.,9'b.alpha.)]-
SpectraBase Compound ID 314t89pWW8Y
InChI InChI=1S/C18H25NO3S2/c20-16-15-14(21-18(22-15)7-2-1-3-8-18)13-12(6-4-9-19(13)16)17-23-10-5-11-24-17/h13-15H,1-11H2/t13?,14-,15+/m0/s1
InChIKey XDLKTTFBMFVUEQ-NOYMGPGASA-N
Mol Weight 367.52 g/mol
Molecular Formula C18H25NO3S2
Exact Mass 367.127586 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qIEmwACMK
Name Spiro[cyclohexane-1,2'-[1,3]dioxolo[4,5-a]indolizin]-4'(3'aH)-one, 9'-(1,3-dithian-2-ylidene)hexahydro-, [3'aS-(3'a.alpha.,9'a.beta.,9'b.alpha.)]-
CAS Registry Number 129390-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO3S2
InChI InChI=1S/C18H25NO3S2/c20-16-15-14(21-18(22-15)7-2-1-3-8-18)13-12(6-4-9-19(13)16)17-23-10-5-11-24-17/h13-15H,1-11H2/t13?,14-,15+/m0/s1
InChIKey XDLKTTFBMFVUEQ-NOYMGPGASA-N
Molecular Weight 367.522 g/mol
SMILES [C@]12(C(N3CCCC(C3[C@@]2(OC2(O1)CCCCC2)[H])=C1SCCCS1)=O)[H]
SPLASH splash10-0a4i-9200000000-fac10d723ebb28433268
Source of Spectrum C-112-8108-24
Synonyms (1S,2R)-1,2-(cyclohexylidenedioxy)-8-[2-(1,3-dithianylidene)indolizidin-3-one (3aR,9bS)-9-(1,3-dithian-2-ylidene)-octahydrospiro[[1,3]dioxolo[4,5-a]indolizine-2,1'-cyclohexane]-4-one
Wiley ID 1352487