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(Z)-1-(Phenylthio)cyclododecene
SpectraBase Compound ID DKVsAXIJ6Ov
InChI InChI=1S/C18H26S/c1-2-4-6-9-13-17(14-10-7-5-3-1)19-18-15-11-8-12-16-18/h8,11-13,15-16H,1-7,9-10,14H2/b17-13+
InChIKey SDTXKXNHECLOLP-GHRIWEEISA-N
Mol Weight 274.47 g/mol
Molecular Formula C18H26S
Exact Mass 274.175522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5vLZOyIGCd
Name (Z)-1-(Phenylthio)cyclododecene
Alternate Name(s) 1-(Phenylsulfanyl)-1-cyclododecene 1-cyclododecen-1-yl phenyl sulfide
CAS Registry Number 85894-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26S
InChI InChI=1S/C18H26S/c1-2-4-6-9-13-17(14-10-7-5-3-1)19-18-15-11-8-12-16-18/h8,11-13,15-16H,1-7,9-10,14H2/b17-13+
InChIKey SDTXKXNHECLOLP-GHRIWEEISA-N
Molecular Weight 274.466 g/mol
SMILES c1(S\C2=C/CCCCCCCCCC2)ccccc1
SPLASH splash10-0mb9-0950000000-86c28c7955bd181adcb1
Source of Spectrum J-49-1089-0
Wiley ID 1278552