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Cyclododecyl thiobenzoate

View entire compound with spectra: 1 MS (GC)

Cyclododecyl thiobenzoate
SpectraBase Compound ID HO8vFacPb7A
InChI InChI=1S/C19H28OS/c21-19(17-13-9-8-10-14-17)20-18-15-11-6-4-2-1-3-5-7-12-16-18/h8-10,13-14,18H,1-7,11-12,15-16H2
InChIKey YJTWMQLRHJUMOX-UHFFFAOYSA-N
Mol Weight 304.49 g/mol
Molecular Formula C19H28OS
Exact Mass 304.186087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUU9VxNcB04
Name Cyclododecyl thiobenzoate
Alternate Name(s) O-cyclododecyl benzenecarbothioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28OS
InChI InChI=1S/C19H28OS/c21-19(17-13-9-8-10-14-17)20-18-15-11-6-4-2-1-3-5-7-12-16-18/h8-10,13-14,18H,1-7,11-12,15-16H2
InChIKey YJTWMQLRHJUMOX-UHFFFAOYSA-N
Molecular Weight 304.492 g/mol
SMILES C(OC1CCCCCCCCCCC1)(=S)c1ccccc1
SPLASH splash10-067i-9100000000-5708f8e5220d58b8b942
Source of Spectrum F-55-3484-9
Wiley ID 837356