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Carbamic acid, [5-(1,2-dihydroxyethyl)-1,3,4,5-tetrahydrobenz[cd]indol-4-yl]methyl-, 1,1-dimethylethyl ester, [4.alpha.,5.alpha.(S*)]-(.+-.)-

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Carbamic acid, [5-(1,2-dihydroxyethyl)-1,3,4,5-tetrahydrobenz[cd]indol-4-yl]methyl-, 1,1-dimethylethyl ester, [4.alpha.,5.alpha.(S*)]-(.+-.)-
SpectraBase Compound ID IZMMkGfwxSz
InChI InChI=1S/C19H26N2O4/c1-19(2,3)25-18(24)21(4)14-8-11-9-20-13-7-5-6-12(16(11)13)17(14)15(23)10-22/h5-7,9,14-15,17,20,22-23H,8,10H2,1-4H3/t14-,15+,17-/m0/s1
InChIKey WMNBSSNNUHTGMW-UXLLHSPISA-N
Mol Weight 346.43 g/mol
Molecular Formula C19H26N2O4
Exact Mass 346.189257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Fzn1Zbsnaz
Name Carbamic acid, [5-(1,2-dihydroxyethyl)-1,3,4,5-tetrahydrobenz[cd]indol-4-yl]methyl-, 1,1-dimethylethyl ester, [4.alpha.,5.alpha.(S*)]-(.+-.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.189257321 u
Formula C19H26N2O4
InChI InChI=1S/C19H26N2O4/c1-19(2,3)25-18(24)21(4)14-8-11-9-20-13-7-5-6-12(16(11)13)17(14)15(23)10-22/h5-7,9,14-15,17,20,22-23H,8,10H2,1-4H3/t14-,15+,17-/m0/s1
InChIKey WMNBSSNNUHTGMW-UXLLHSPISA-N
Molecular Weight 346.427 g/mol
SMILES C=12C=3C(=CC=CC3NC1)[C@@]([C@](C2)(N(C(OC(C)(C)C)=O)C)[H])([C@](O)(CO)[H])[H]