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1,3-bis(1-adamantylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
SpectraBase Compound ID o1viQW9faZ
InChI InChI=1S/C28H40N2O2S/c1-26(2)23(31)29(15-27-9-17-3-18(10-27)5-19(4-17)11-27)25(33)30(24(26)32)16-28-12-20-6-21(13-28)8-22(7-20)14-28/h17-22H,3-16H2,1-2H3
InChIKey KNJKMZORNBOUQD-UHFFFAOYSA-N
Mol Weight 468.7 g/mol
Molecular Formula C28H40N2O2S
Exact Mass 468.28105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTRC7BSx5wf
Name 1,3-bis(1-adamantylmethyl)-5,5-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CAS Registry Number 110458-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H40N2O2S
InChI InChI=1S/C28H40N2O2S/c1-26(2)23(31)29(15-27-9-17-3-18(10-27)5-19(4-17)11-27)25(33)30(24(26)32)16-28-12-20-6-21(13-28)8-22(7-20)14-28/h17-22H,3-16H2,1-2H3
InChIKey KNJKMZORNBOUQD-UHFFFAOYSA-N
Molecular Weight 468.700 g/mol
SMILES C1(N(C(C(C(N1CC12CC3CC(C2)CC(C1)C3)=O)(C)C)=O)CC12CC3CC(C2)CC(C1)C3)=S
SPLASH splash10-00ku-9600000000-2143961f29fd57fbb36e
Source of Spectrum J-52-5183-3
Synonyms 1,3-bis(1-adamantylmethyl)-5,5-dimethyl-2-thioxo-hexahydropyrimidine-4,6-dione 1,3-bis(1-adamantylmethyl)-5,5-dimethyl-2-thioxo-hexahydropyrimidine-4,6-quinone
Wiley ID 1392456