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5-(l-Menthyloxy)-4-piperidino-3-(S)-chloro-2(5H)furanone
SpectraBase Compound ID FerESwd8a1V
InChI InChI=1S/C19H30ClNO3/c1-12(2)14-8-7-13(3)11-15(14)23-19-17(16(20)18(22)24-19)21-9-5-4-6-10-21/h12-15,19H,4-11H2,1-3H3/t13-,14+,15-,19+/m1/s1
InChIKey OAJNTPARKJRUPX-GJRWTSMGSA-N
Mol Weight 355.91 g/mol
Molecular Formula C19H30ClNO3
Exact Mass 355.191422 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HU3BN6PnyvS
Name 5-(L-Menthyloxy)-4-piperidino-3-(S)-chloro-2(5H)furanone
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 355.191421527 u
Formula C19H30ClNO3
InChI InChI=1S/C19H30ClNO3/c1-12(2)14-8-7-13(3)11-15(14)23-19-17(16(20)18(22)24-19)21-9-5-4-6-10-21/h12-15,19H,4-11H2,1-3H3/t13-,14+,15-,19+/m1/s1
InChIKey OAJNTPARKJRUPX-GJRWTSMGSA-N
Molecular Weight 355.906 g/mol
SMILES [C@]1(O[C@@]2(C(=C(C(O2)=O)Cl)N2CCCCC2)[H])(C[C@](C)(CC[C@]1(C(C)C)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914502