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3,7-[(R)-(+)-1'-Methylbenzyl]-1,5-dithia-3,7-diiazacyclooctane
SpectraBase Compound ID C2PJBoBL0f3
InChI InChI=1S/C20H26N2S2/c1-17(19-9-5-3-6-10-19)21-13-23-15-22(16-24-14-21)18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3/t17-,18-/m1/s1
InChIKey UOLBPSRUAIBYKK-QZTJIDSGSA-N
Mol Weight 358.56 g/mol
Molecular Formula C20H26N2S2
Exact Mass 358.153741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvfjewDOMEF
Name 3,7-[(R)-(+)-1'-Methylbenzyl]-1,5-dithia-3,7-diiazacyclooctane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N2S2
InChI InChI=1S/C20H26N2S2/c1-17(19-9-5-3-6-10-19)21-13-23-15-22(16-24-14-21)18(2)20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3/t17-,18-/m1/s1
InChIKey UOLBPSRUAIBYKK-QZTJIDSGSA-N
Molecular Weight 358.562 g/mol
SMILES [C@@](N1CSCN(CSC1)[C@@](c1ccccc1)(C)[H])(c1ccccc1)(C)[H]
SPLASH splash10-0a4i-1900000000-6b820fa08c9127349734
Source of Spectrum QC-5-638-3
Wiley ID 883584