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(-)-(5R,6S)-2,2,5-Trimethyl-6-[(R)-N-.alpha.-phenylethylcarbamoyloxy]-1,3-dioxepane
SpectraBase Compound ID LS6pcbdtX1O
InChI InChI=1S/C17H25NO4/c1-12-10-20-17(3,4)21-11-15(12)22-16(19)18-13(2)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,18,19)/t12-,13-,15-/m1/s1
InChIKey MNGONUIHLDRORO-UMVBOHGHSA-N
Mol Weight 307.39 g/mol
Molecular Formula C17H25NO4
Exact Mass 307.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFHoNf3NvTi
Name (-)-(5R,6S)-2,2,5-Trimethyl-6-[(R)-N-.alpha.-phenylethylcarbamoyloxy]-1,3-dioxepane
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Formula C17H25NO4
InChI InChI=1S/C17H25NO4/c1-12-10-20-17(3,4)21-11-15(12)22-16(19)18-13(2)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,18,19)/t12-,13-,15-/m1/s1
InChIKey MNGONUIHLDRORO-UMVBOHGHSA-N
Molecular Weight 307.390 g/mol
SMILES N(C(O[C@]1([C@@](COC(OC1)(C)C)(C)[H])[H])=O)[C@@](c1ccccc1)(C)[H]
SPLASH splash10-0a59-9600000000-df2804c9527d5ecbe849
Source of Spectrum J-41-2474-0
Synonyms (5S,6R)-2,2,6-trimethyl-1,3-dioxepan-5-yl (1R)-1-phenylethylcarbamate
Wiley ID 1308974