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Spiro[cyclohexane-1,2'-[4H-1,3]dioxolo[4,5-c]pyrrol]-4'-one, 5'-[4-(1,3-dithian-2-ylidene)butyl]tetrahydro-6'-hydroxy-, [3'aS-(3'a.alpha.,6'.alpha.,6'a.alpha.)]-

View entire compound with spectra: 1 MS (GC)

Spiro[cyclohexane-1,2'-[4H-1,3]dioxolo[4,5-c]pyrrol]-4'-one, 5'-[4-(1,3-dithian-2-ylidene)butyl]tetrahydro-6'-hydroxy-, [3'aS-(3'a.alpha.,6'.alpha.,6'a.alpha.)]-
SpectraBase Compound ID 76n3amsQeAU
InChI InChI=1S/C18H27NO4S2/c20-16-14-15(23-18(22-14)8-3-1-4-9-18)17(21)19(16)10-5-2-7-13-24-11-6-12-25-13/h7,14-16,20H,1-6,8-12H2/t14-,15+,16?/m1/s1
InChIKey GKAFMLIVMTTZJW-YSPPHNQVSA-N
Mol Weight 385.54 g/mol
Molecular Formula C18H27NO4S2
Exact Mass 385.138151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PB2krOiI0Y
Name Spiro[cyclohexane-1,2'-[4H-1,3]dioxolo[4,5-c]pyrrol]-4'-one, 5'-[4-(1,3-dithian-2-ylidene)butyl]tetrahydro-6'-hydroxy-, [3'aS-(3'a.alpha.,6'.alpha.,6'a.alpha.)]-
CAS Registry Number 129390-57-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H27NO4S2
InChI InChI=1S/C18H27NO4S2/c20-16-14-15(23-18(22-14)8-3-1-4-9-18)17(21)19(16)10-5-2-7-13-24-11-6-12-25-13/h7,14-16,20H,1-6,8-12H2/t14-,15+,16?/m1/s1
InChIKey GKAFMLIVMTTZJW-YSPPHNQVSA-N
Molecular Weight 385.537 g/mol
SMILES OC1[C@]2([C@@](C(N1CCCC=C1SCCCS1)=O)(OC1(CCCCC1)O2)[H])[H]
SPLASH splash10-014i-2900000000-bbbe6cd02db1567b1f71
Source of Spectrum C-112-8108-23
Synonyms (3aR,6aS)-5-[4-(1,3-dithian-2-ylidene)butyl]-4-hydroxy-tetrahydro-3aH-spiro[[1,3]dioxolo[4,5-c]pyrrole-2,1'-cyclohexane]-6-one N-[4-(1,3-dithian-2-ylidene)butyl]-(3S,4R)-3,4-(cyclohexylidenedioxy)-5-hydroxy-2-pyrrolidinone
Wiley ID 1362130