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N(6)-Benzoyl-9-(trans-perhydrocyclopenta[c]thiin-6'-yl)-9H-adenine
SpectraBase Compound ID 8hnCV0drUi5
InChI InChI=1S/C20H21N5OS/c26-20(13-4-2-1-3-5-13)24-18-17-19(22-11-21-18)25(12-23-17)16-8-14-6-7-27-10-15(14)9-16/h1-5,11-12,14-16H,6-10H2,(H,21,22,24,26)/t14-,15?,16+/m0/s1
InChIKey NDEIUOUECKEUAE-DLDKDUQYSA-N
Mol Weight 379.48 g/mol
Molecular Formula C20H21N5OS
Exact Mass 379.146681 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1VdCGK2E0O
Name N(6)-Benzoyl-9-(trans-perhydrocyclopenta[c]thiin-6'-yl)-9H-adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N5OS
InChI InChI=1S/C20H21N5OS/c26-20(13-4-2-1-3-5-13)24-18-17-19(22-11-21-18)25(12-23-17)16-8-14-6-7-27-10-15(14)9-16/h1-5,11-12,14-16H,6-10H2,(H,21,22,24,26)/t14-,15?,16+/m0/s1
InChIKey NDEIUOUECKEUAE-DLDKDUQYSA-N
Molecular Weight 379.482 g/mol
SMILES N(c1c2c([n](cn2)[C@@]2(C[C@@]3(CCSCC3C2)[H])[H])ncn1)C(=O)c1ccccc1
SPLASH splash10-054o-9444000000-ded16c03673d253b83e8
Source of Spectrum H-76-257-23
Wiley ID 1359244