For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-(1-adamantyl)-3-thioallophanic acid, ethyl ester
SpectraBase Compound ID 1nGUCDlon4Q
InChI InChI=1S/C14H22N2O2S/c1-2-18-13(17)15-12(19)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H2,15,16,17,19)/t9-,10+,11-,14-
InChIKey DFUZNDJMFAJHKC-UAMPICCDSA-N
Mol Weight 282.4 g/mol
Molecular Formula C14H22N2O2S
Exact Mass 282.140199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID HQYnQOZ6tlg
Name Ethyl (1-adamantylamino)carbothioylcarbamate
CAS Registry Number 36997-89-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22N2O2S
InChI InChI=1S/C14H22N2O2S/c1-2-18-13(17)15-12(19)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h9-11H,2-8H2,1H3,(H2,15,16,17,19)/t9-,10+,11-,14-
InChIKey DFUZNDJMFAJHKC-UAMPICCDSA-N
Molecular Weight 282.402 g/mol
SMILES N(C(NC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=S)C(=O)OCC
SPLASH splash10-001c-9640000000-0735c80145691b2e2b0a
Source of Spectrum AD-0-2532-0
Synonyms Ethyl N-(1-adamantylcarbamothioyl)carbamate N-(1-adamantylthiocarbamoyl)carbamic acid ethyl ester N-[(1-adamantylamino)-sulfanylidenemethyl]carbamic acid ethyl ester
Wiley ID 1427433