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1-(1-adamantyl)-3-[2-(4-ethylphenoxy)ethyl]thiourea
SpectraBase Compound ID 2HaHkgLDmrK
InChI InChI=1S/C21H30N2OS/c1-2-15-3-5-19(6-4-15)24-8-7-22-20(25)23-21-12-16-9-17(13-21)11-18(10-16)14-21/h3-6,16-18H,2,7-14H2,1H3,(H2,22,23,25)/t16-,17+,18-,21-
InChIKey IPXHHWCDYVFFRG-KCPQFBADSA-N
Mol Weight 358.54 g/mol
Molecular Formula C21H30N2OS
Exact Mass 358.207885 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I34ngezCQlh
Name 1-(1-adamantyl)-3-[2-(4-ethylphenoxy)ethyl]thiourea
Alternate Name(s) Thiourea, 1-(adamantan-1-yl)-3-[2-(4-ethylphenoxy)ethyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30N2OS
InChI InChI=1S/C21H30N2OS/c1-2-15-3-5-19(6-4-15)24-8-7-22-20(25)23-21-12-16-9-17(13-21)11-18(10-16)14-21/h3-6,16-18H,2,7-14H2,1H3,(H2,22,23,25)/t16-,17+,18-,21-
InChIKey IPXHHWCDYVFFRG-KCPQFBADSA-N
Molecular Weight 358.544 g/mol
SMILES N(C(=S)NCCOc1ccc(cc1)CC)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]
SPLASH splash10-000i-9830000000-cd66bb4807e881158272
Source of Spectrum AD-0-2532-0
Wiley ID 1435818