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(S)-N-(Benzyloxycarbonyl)-2-(1-adamantyl)-2-aminoethanol acetate
SpectraBase Compound ID 2ZkECnD6tbB
InChI InChI=1S/C22H29NO4/c1-15(24)26-14-20(23-21(25)27-13-16-5-3-2-4-6-16)22-10-17-7-18(11-22)9-19(8-17)12-22/h2-6,17-20H,7-14H2,1H3,(H,23,25)/t17-,18+,19-,20-,22?/m1/s1
InChIKey VVHIPLOVEZWXPA-JJHZRONBSA-N
Mol Weight 371.48 g/mol
Molecular Formula C22H29NO4
Exact Mass 371.209658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDAH7ocM9WH
Name (S)-N-(Benzyloxycarbonyl)-2-(1-adamantyl)-2-aminoethanol acetate
Alternate Name(s) (2S)-2-(1-adamantyl)-2-{[(benzyloxy)carbonyl]amino}ethyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO4
InChI InChI=1S/C22H29NO4/c1-15(24)26-14-20(23-21(25)27-13-16-5-3-2-4-6-16)22-10-17-7-18(11-22)9-19(8-17)12-22/h2-6,17-20H,7-14H2,1H3,(H,23,25)/t17-,18+,19-,20-,22?/m1/s1
InChIKey VVHIPLOVEZWXPA-JJHZRONBSA-N
Molecular Weight 371.477 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@](C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(COC(=O)C)[H]
SPLASH splash10-00e1-0979000000-5dd6975c45f8b4247465
Source of Spectrum QC-11-4555-9
Wiley ID 860210