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(1S,4R,5R,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1-cyclohex-2-enol
SpectraBase Compound ID AAA1Zb5tdQ9
InChI InChI=1S/C28H30O4/c29-26-17-16-25(21-30-18-22-10-4-1-5-11-22)27(31-19-23-12-6-2-7-13-23)28(26)32-20-24-14-8-3-9-15-24/h1-17,25-29H,18-21H2/t25-,26+,27-,28-/m1/s1
InChIKey QSRYNQUZMIDQPP-JUDWXZBOSA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEwnbFRBJcG
Name (1S,4R,5R,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)-1-cyclohex-2-enol
Alternate Name(s) (1S,4R,5R,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohex-2-en-1-ol (1S,4R,5R,6R)-5,6-dibenzoxy-4-(benzoxymethyl)cyclohex-2-en-1-ol (1S,4R,5R,6R)-5,6-dibenzyloxy-4-(benzyloxymethyl)cyclohex-2-en-1-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O4
InChI InChI=1S/C28H30O4/c29-26-17-16-25(21-30-18-22-10-4-1-5-11-22)27(31-19-23-12-6-2-7-13-23)28(26)32-20-24-14-8-3-9-15-24/h1-17,25-29H,18-21H2/t25-,26+,27-,28-/m1/s1
InChIKey QSRYNQUZMIDQPP-JUDWXZBOSA-N
Molecular Weight 430.544 g/mol
SMILES O[C@]1(C=C[C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(COCc1ccccc1)[H])[H]
SPLASH splash10-0006-9000000000-a46f8cfb91d1ed4fae7b
Source of Spectrum KC-0-2023-26
Wiley ID 781664