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14-Isopropyl-2,11-dithia-5,8-dioxabicyclo[10.4.1]heptadeca-1(16),12,14-trien-17-one
SpectraBase Compound ID LGBRgACeG8K
InChI InChI=1S/C16H22O3S2/c1-12(2)13-3-4-14-16(17)15(11-13)21-10-8-19-6-5-18-7-9-20-14/h3-4,11-12H,5-10H2,1-2H3
InChIKey CQIDJOOJNDVZTB-UHFFFAOYSA-N
Mol Weight 326.47 g/mol
Molecular Formula C16H22O3S2
Exact Mass 326.101037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPxESStDK0A
Name 14-Isopropyl-2,11-dithia-5,8-dioxabicyclo[10.4.1]heptadeca-1(16),12,14-trien-17-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3S2
InChI InChI=1S/C16H22O3S2/c1-12(2)13-3-4-14-16(17)15(11-13)21-10-8-19-6-5-18-7-9-20-14/h3-4,11-12H,5-10H2,1-2H3
InChIKey CQIDJOOJNDVZTB-UHFFFAOYSA-N
Molecular Weight 326.469 g/mol
SMILES C1=2C(C(=CC=C(C2)C(C)C)SCCOCCOCCS1)=O
SPLASH splash10-004i-0469000000-916113a60c7762ceb2cd
Source of Spectrum AJ-66-3454-6
Synonyms 14-Isopropyl-2,11-dithia-5,8-oxabicyclo[10.4.1]heptadecatriene-17-one 14-isopropyl-5,8-dioxa-2,11-dithiabicyclo[10.4.1]heptadeca-1(16),12,14-trien-17-one
Wiley ID 772412