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Carbamic acid, [2-(phenylseleno)cyclododecyl]-, ethyl ester, (1R*,2S*)-
SpectraBase Compound ID FcGae8sExtu
InChI InChI=1S/C21H33NO2Se/c1-2-24-21(23)22-19-16-12-7-5-3-4-6-8-13-17-20(19)25-18-14-10-9-11-15-18/h9-11,14-15,19-20H,2-8,12-13,16-17H2,1H3,(H,22,23)/t19-,20+/m1/s1
InChIKey FIUGPLUFUHBSDG-UXHICEINSA-N
Mol Weight 410.5 g/mol
Molecular Formula C21H33NO2Se
Exact Mass 411.167651 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F6BnbKPt9EE
Name Carbamic acid, [2-(phenylseleno)cyclododecyl]-, ethyl ester, (1R*,2S*)-
Alternate Name(s) Cyclododecane, carbamic acid deriv. Erythro-ethyl[2-(phenylseleno)cyclododecyl]carbamate Ethyl (1R,2S)-2-(phenylselanyl)cyclododecylcarbamate
CAS Registry Number 131317-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33NO2Se
InChI InChI=1S/C21H33NO2Se/c1-2-24-21(23)22-19-16-12-7-5-3-4-6-8-13-17-20(19)25-18-14-10-9-11-15-18/h9-11,14-15,19-20H,2-8,12-13,16-17H2,1H3,(H,22,23)/t19-,20+/m1/s1
InChIKey FIUGPLUFUHBSDG-UXHICEINSA-N
Molecular Weight 410.472 g/mol
SMILES N(C(=O)OCC)[C@]1([C@@]([Se]c2ccccc2)(CCCCCCCCCC1)[H])[H]
SPLASH splash10-0w29-0062900000-2ddaf2e7e6c11904d132
Source of Spectrum KC-1990-2423-17
Wiley ID 1374060