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(3ar,6as)-Perhydrocyclopenta-[D]-oxazol-2-one
SpectraBase Compound ID AeeNgMw5mL5
InChI InChI=1S/C6H9NO2/c8-6-7-4-2-1-3-5(4)9-6/h4-5H,1-3H2,(H,7,8)/t4-,5+/m1/s1
InChIKey BYBIMGJXEDBVDP-UHNVWZDZSA-N
Mol Weight 127.14 g/mol
Molecular Formula C6H9NO2
Exact Mass 127.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Rv0azKcP2M
Name (3aR,6aS)-Hexahydro-2H-cyclopenta[d]oxazol-2-one
Appearance White solid
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Exact Mass 127.063328532 u
Formula C6H9NO2
InChI InChI=1S/C6H9NO2/c8-6-7-4-2-1-3-5(4)9-6/h4-5H,1-3H2,(H,7,8)/t4-,5+/m1/s1
InChIKey BYBIMGJXEDBVDP-UHNVWZDZSA-N
Instrument Name MAT 95XP or HP 5973N MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201600698
Molecular Weight 127.143 g/mol
Quality 193
Reported Formula C6H9NO2
SMILES N1C(O[C@]2(CCC[C@@]12[H])[H])=O
SPLASH splash10-004j-9700000000-89b1b1ba2e2e5d2217bb
Source of Spectrum ACI-55-SM6-7b (DOI: 10.1002/anie.201600698)
Wiley ID 1904441