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5-(7-Isopropyl-10-methyl-5-oxo-1,5-dithia-spiro[5.5]undec-2-yl)-pentanoic acid
SpectraBase Compound ID 58oLdW48ST0
InChI InChI=1S/C18H32O3S2/c1-13(2)16-9-8-14(3)12-18(16)22-15(10-11-23(18)21)6-4-5-7-17(19)20/h13-16H,4-12H2,1-3H3,(H,19,20)
InChIKey GQKPPCCEAREUDS-UHFFFAOYSA-N
Mol Weight 360.6 g/mol
Molecular Formula C18H32O3S2
Exact Mass 360.179287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Js6uZCoplf
Name 5-(7-ISOPROPYL-10-METHYL-5-OXO-1,5-DITHIA-SPIRO[5.5]UNDEC-2-YL)PENTANOIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H32O3S2
InChI InChI=1S/C18H32O3S2/c1-13(2)16-9-8-14(3)12-18(16)22-15(10-11-23(18)21)6-4-5-7-17(19)20/h13-16H,4-12H2,1-3H3,(H,19,20)
InChIKey GQKPPCCEAREUDS-UHFFFAOYSA-N
Molecular Weight 360.1785
SMILES OC(=O)CCCCC1SC2(S(=O)CC1)C(C(C)C)CCC(C)C2
SPLASH splash10-00lg-9500000000-d6ec829ee30abd0c88fe
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany