Carbamothioic acid, (1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-, S-(phenylmethyl) ester

SpectraBase Compound ID	DgFnL5BHkaT
InChI	InChI=1S/C18H25NOS/c1-17(2)14-9-10-18(17,3)15(11-14)19-16(20)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,19,20)/t14-,15+,18+/m0/s1
InChIKey	XJSDMPCGVUAEBA-HDMKZQKVSA-N Google Search
Mol Weight	303.46 g/mol
Molecular Formula	C18H25NOS
Exact Mass	303.165686 g/mol

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SpectraBase Spectrum ID	6116nwyo2DO
Name	Carbamothioic acid, (1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-, S-(phenylmethyl) ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	303.165685602 u
Formula	C18H25NOS
InChI	InChI=1S/C18H25NOS/c1-17(2)14-9-10-18(17,3)15(11-14)19-16(20)21-12-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,19,20)/t14-,15+,18+/m0/s1
InChIKey	XJSDMPCGVUAEBA-HDMKZQKVSA-N
SMILES	C1[C@@]2(C)C(C)(C)[C@@](C1)(C[C@]2(NC(=O)SCC=1C=CC=CC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.876365