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[3R-(3-ALPHA,6-BETA,7A-ALPHA)]-6-METHYL-3-PHENYL-3H,5H-TETRAHYDROPYRROLO-[1,2-C]-OXAZOL-5-ONE
SpectraBase Compound ID DbTQAH9QK7Z
InChI InChI=1S/C13H15NO2/c1-9-7-11-8-16-13(14(11)12(9)15)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11-,13+/m0/s1
InChIKey ASWGWUAIRIPSBF-XHVZSJERSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6fBwlvhPy1u
Name (3R,6S,7aS)-6-Methyl-3-phenyl-tetrahydro-pyrrolo[1,2-c]oxazol-5-one
Alternate Name(s) (3R,6.beta.)-6-Methyl-3-phenyl-3H,5H-tetrahydropyrrolo[1,2-c]oxazol-5-one (3R,6S,7aS)-6-methyl-3-phenyltetrahydro-5H-pyrrolo[1,2-c][1,3]oxazol-5-one (3R,6S,7aS)-6-methyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-9-7-11-8-16-13(14(11)12(9)15)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3/t9-,11-,13+/m0/s1
InChIKey ASWGWUAIRIPSBF-XHVZSJERSA-N
Molecular Weight 217.268 g/mol
SMILES C1(N2[C@@](C[C@@]1(C)[H])(CO[C@@]2(c1ccccc1)[H])[H])=O
SPLASH splash10-014i-0090000000-883f044aef2697a63aaa
Source of Spectrum D8-329-47-7
Wiley ID 1516087