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2-Oxo-3-carbomethoxy-14-pentyl-trans-oxacyclotetradec-5-ene-8-spiro-2-(1,3-dithiane)
SpectraBase Compound ID 7vsNogZJdI
InChI InChI=1S/C23H38O4S2/c1-3-4-6-12-19-13-7-5-9-15-23(28-17-11-18-29-23)16-10-8-14-20(21(24)26-2)22(25)27-19/h8,10,19-20H,3-7,9,11-18H2,1-2H3/b10-8-
InChIKey JYLNPFJBSPOUKM-NTMALXAHSA-N
Mol Weight 442.7 g/mol
Molecular Formula C23H38O4S2
Exact Mass 442.221152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJce1ppKvON
Name 2-Oxo-3-carbomethoxy-14-pentyl-trans-oxacyclotetradec-5-ene-8-spiro-2-(1,3-dithiane)
Alternate Name(s) Methyl 12-oxo-14-pentyl-13-oxa-1,5-dithiaspiro[5.13]nonadec-8-ene-11-carboxylate
CAS Registry Number 115482-35-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O4S2
InChI InChI=1S/C23H38O4S2/c1-3-4-6-12-19-13-7-5-9-15-23(28-17-11-18-29-23)16-10-8-14-20(21(24)26-2)22(25)27-19/h8,10,19-20H,3-7,9,11-18H2,1-2H3/b10-8-
InChIKey JYLNPFJBSPOUKM-NTMALXAHSA-N
Molecular Weight 442.673 g/mol
SMILES C1(C(C(=O)OC)C\C=C/CC2(SCCCS2)CCCCCC(O1)CCCCC)=O
SPLASH splash10-00em-0980300000-8da5e66b3e0dc6596027
Source of Spectrum C-110-6216-30
Wiley ID 1385279