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1-Adamantylthioacetic acid dibenzylamide
SpectraBase Compound ID COfJRcf79yY
InChI InChI=1S/C26H31NS/c28-25(17-26-14-22-11-23(15-26)13-24(12-22)16-26)27(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-10,22-24H,11-19H2/t22-,23+,24-,26-
InChIKey KTHQTKSYAVETLZ-HKIBFUSASA-N
Mol Weight 389.6 g/mol
Molecular Formula C26H31NS
Exact Mass 389.217721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TclmNRh5Tz
Name 1-Adamantylthioacetic acid dibenzylamide
Alternate Name(s) 2-(1-adamantyl)-N,N-dibenzylethanethioamide 2-(1-adamantyl)-N,N-bis(phenylmethyl)ethanethioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H31NS
InChI InChI=1S/C26H31NS/c28-25(17-26-14-22-11-23(15-26)13-24(12-22)16-26)27(18-20-7-3-1-4-8-20)19-21-9-5-2-6-10-21/h1-10,22-24H,11-19H2/t22-,23+,24-,26-
InChIKey KTHQTKSYAVETLZ-HKIBFUSASA-N
Molecular Weight 389.601 g/mol
SMILES C(N(Cc1ccccc1)Cc1ccccc1)(CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=S
SPLASH splash10-0006-9400000000-af7f2ea8240e505edba3
Source of Spectrum O1-47-1211-5c
Wiley ID 1690381