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1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-propanone

View entire compound with spectra: 1 MS (GC)

1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-propanone
SpectraBase Compound ID 1gE50J2cGci
InChI InChI=1S/C17H22O5/c1-11(18)9-13-14(19-10-12-7-5-4-6-8-12)15-16(20-13)22-17(2,3)21-15/h4-8,13-16H,9-10H2,1-3H3/t13-,14+,15-,16-/m1/s1
InChIKey YYPKJSXSUIWXRW-QKPAOTATSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9eu1V1t2I1W
Name 1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-propanone
CAS Registry Number 120418-01-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-11(18)9-13-14(19-10-12-7-5-4-6-8-12)15-16(20-13)22-17(2,3)21-15/h4-8,13-16H,9-10H2,1-3H3/t13-,14+,15-,16-/m1/s1
InChIKey YYPKJSXSUIWXRW-QKPAOTATSA-N
Molecular Weight 306.358 g/mol
SMILES [C@@]12([C@@](OC(O2)(C)C)(O[C@@]([C@@]1(OCc1ccccc1)[H])(CC(=O)C)[H])[H])[H]
SPLASH splash10-0006-9100000000-dfd3069299e1b8e687a8
Source of Spectrum J-54-4105-10
Synonyms 1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-2-one 1-[(3aR,5R,6S,6aR)-6-benzoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]acetone 1-[(3aR,5R,6S,6aR)-6-benzyloxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-2-one
Wiley ID 1308086