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2-Oxepanemethanol, 7-[2-(phenylmethoxy)ethyl]-, (2S-trans)-
SpectraBase Compound ID ICAnqcrpB7z
InChI InChI=1S/C16H24O3/c17-12-16-9-5-4-8-15(19-16)10-11-18-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2/t15-,16+/m1/s1
InChIKey ZRRXFVVHICPTGX-CVEARBPZSA-N
Mol Weight 264.36 g/mol
Molecular Formula C16H24O3
Exact Mass 264.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Fb7QNCW1ZN
Name 2-Oxepanemethanol, 7-[2-(phenylmethoxy)ethyl]-, (2S-trans)-
Alternate Name(s) (2S,7R)-7-[2-(benzyloxy)ethyl]-2-(hydroxymethyl)-1-oxacycloheptane {(2S,7R)-7-[2-(benzyloxy)ethyl]oxepanyl}methanol
CAS Registry Number 123237-58-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3
InChI InChI=1S/C16H24O3/c17-12-16-9-5-4-8-15(19-16)10-11-18-13-14-6-2-1-3-7-14/h1-3,6-7,15-17H,4-5,8-13H2/t15-,16+/m1/s1
InChIKey ZRRXFVVHICPTGX-CVEARBPZSA-N
Molecular Weight 264.365 g/mol
SMILES OC[C@]1(O[C@@](CCOCc2ccccc2)(CCCC1)[H])[H]
SPLASH splash10-0006-9300000000-c24852780f3b1d0ef53e
Source of Spectrum J-54-5158-17
Wiley ID 1268266