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1,2,9-trithiacyclopentadeca-5,12-diyen
SpectraBase Compound ID 6Fk68qbRfBC
InChI InChI=1S/C12H16S3/c1-3-7-11-14-15-12-8-4-2-6-10-13-9-5-1/h5-12H2
InChIKey DVQMUXWNAVBYKP-UHFFFAOYSA-N
Mol Weight 256.44 g/mol
Molecular Formula C12H16S3
Exact Mass 256.041414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5J4UHdAJOc
Name 1,2,9-trithiacyclopentadeca-5,12-diyen
Alternate Name(s) 1,2,9-trithiacyclopentadeca-5,12-diyne
CAS Registry Number 115465-39-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16S3
InChI InChI=1S/C12H16S3/c1-3-7-11-14-15-12-8-4-2-6-10-13-9-5-1/h5-12H2
InChIKey DVQMUXWNAVBYKP-UHFFFAOYSA-N
Molecular Weight 256.440 g/mol
SMILES C1#CCCSSCCC#CCCSCC1
SPLASH splash10-004i-9000000000-81a7051f4c489a5ad1c8
Source of Spectrum K-121-2242-16
Wiley ID 1259429