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all-cis-3-(benzoyloxy)-5-([(benzyloxy)carbonyl]amino)cycloheptanol
SpectraBase Compound ID Hmoma6kJrq4
InChI InChI=1S/C22H25NO5/c24-19-12-11-18(23-22(26)27-15-16-7-3-1-4-8-16)13-20(14-19)28-21(25)17-9-5-2-6-10-17/h1-10,18-20,24H,11-15H2,(H,23,26)
InChIKey GVOWGACVVXMRDF-UHFFFAOYSA-N
Mol Weight 383.44 g/mol
Molecular Formula C22H25NO5
Exact Mass 383.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DA2VBJcliAB
Name all-cis-3-(benzoyloxy)-5-([(benzyloxy)carbonyl]amino)cycloheptanol
CAS Registry Number 95687-98-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO5
InChI InChI=1S/C22H25NO5/c24-19-12-11-18(23-22(26)27-15-16-7-3-1-4-8-16)13-20(14-19)28-21(25)17-9-5-2-6-10-17/h1-10,18-20,24H,11-15H2,(H,23,26)
InChIKey GVOWGACVVXMRDF-UHFFFAOYSA-N
Molecular Weight 383.444 g/mol
SMILES N(C(=O)OCc1ccccc1)C1CC(CC(CC1)O)OC(=O)c1ccccc1
SPLASH splash10-0a4l-3900000000-7141f84fafc71beef1da
Source of Spectrum J-50-1824-40
Synonyms 3-{[(benzyloxy)carbonyl]amino}-6-hydroxycycloheptyl benzoate
Wiley ID 1361124