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N-[2-[4-[[(1S,2S)-2-hydroxycyclohexyl]methyl]phenoxy]ethyl]carbamic acid prop-2-ynyl ester
SpectraBase Compound ID 7qIPzze820w
InChI InChI=1S/C19H25NO4/c1-2-12-24-19(22)20-11-13-23-17-9-7-15(8-10-17)14-16-5-3-4-6-18(16)21/h1,7-10,16,18,21H,3-6,11-14H2,(H,20,22)/t16-,18-/m0/s1
InChIKey KSXLDJPOFWYJDZ-WMZOPIPTSA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BAijUCxsU
Name N-[2-[4-[[(1S,2S)-2-hydroxycyclohexyl]methyl]phenoxy]ethyl]carbamic acid prop-2-ynyl ester
Alternate Name(s) N-[2-[4-[[(1S,2S)-2-hydroxycyclohexyl]methyl]phenoxy]ethyl]carbamic acid propargyl ester Prop-2-ynyl N-[2-[4-[[(1S,2S)-2-hydroxycyclohexyl]methyl]phenoxy]ethyl]carbamate Prop-2-ynyl N-[2-[4-[[(1S,2S)-2-oxidanylcyclohexyl]methyl]phenoxy]ethyl]carbamate
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Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-2-12-24-19(22)20-11-13-23-17-9-7-15(8-10-17)14-16-5-3-4-6-18(16)21/h1,7-10,16,18,21H,3-6,11-14H2,(H,20,22)/t16-,18-/m0/s1
InChIKey KSXLDJPOFWYJDZ-WMZOPIPTSA-N
Molecular Weight 331.412 g/mol
SMILES N(C(=O)OCC#C)CCOc1ccc(C[C@]2([C@](CCCC2)(O)[H])[H])cc1
SPLASH splash10-004i-2900000000-aa6c6ae3cfd3d9ad3c18
Source of Spectrum H-77-566-18
Wiley ID 1328765