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(+)-(3R,6S)-3-methyl-6-[(1'S)-1'-methyl-2'-benziloxymethyl]-.epison.caprolactone

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(+)-(3R,6S)-3-methyl-6-[(1'S)-1'-methyl-2'-benziloxymethyl]-.epison.caprolactone
SpectraBase Compound ID 1099BVO3jxx
InChI InChI=1S/C17H24O3/c1-13-8-9-16(20-17(18)10-13)14(2)11-19-12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14?,16+/m1/s1
InChIKey IANILANTUDAXDE-XIFZVWCKSA-N
Mol Weight 276.38 g/mol
Molecular Formula C17H24O3
Exact Mass 276.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gc2eGozBNB
Name (+)-(3R,6S)-3-methyl-6-[(1'S)-1'-methyl-2'-benziloxymethyl]-.epison.caprolactone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 276.172544630 u
Formula C17H24O3
InChI InChI=1S/C17H24O3/c1-13-8-9-16(20-17(18)10-13)14(2)11-19-12-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12H2,1-2H3/t13-,14?,16+/m1/s1
InChIKey IANILANTUDAXDE-XIFZVWCKSA-N
SMILES C1(O[C@@](CC[C@](C1)(C)[H])(C(COCC1=CC=CC=C1)C)[H])=O