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2H-Pentaleno[1,6-bc]furan-2-one, octahydro-4-[(phenylmethoxy)methyl]-, (2a.alpha.,4.beta.,4a.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-
SpectraBase Compound ID 6pudjjJUQ4h
InChI InChI=1S/C17H20O3/c18-17-14-8-12(13-6-7-15(20-17)16(13)14)10-19-9-11-4-2-1-3-5-11/h1-5,12-16H,6-10H2/t12-,13?,14-,15+,16?/m1/s1
InChIKey PMPFANOZUXDDTI-XSGCYMIOSA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gu4aySjBDcC
Name 2H-Pentaleno[1,6-bc]furan-2-one, octahydro-4-[(phenylmethoxy)methyl]-, (2a.alpha.,4.beta.,4a.alpha.,6a.alpha.,6b.alpha.)-(.+-.)-
CAS Registry Number 127268-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20O3
InChI InChI=1S/C17H20O3/c18-17-14-8-12(13-6-7-15(20-17)16(13)14)10-19-9-11-4-2-1-3-5-11/h1-5,12-16H,6-10H2/t12-,13?,14-,15+,16?/m1/s1
InChIKey PMPFANOZUXDDTI-XSGCYMIOSA-N
Molecular Weight 272.344 g/mol
SMILES [C@]12(C(O[C@@]3(C2C(CC3)[C@](C1)(COCc1ccccc1)[H])[H])=O)[H]
SPLASH splash10-0006-9000000000-2bf3c3e829057330b99f
Source of Spectrum F-45-5661-14
Synonyms (2aR,4S,6aS)-4-[(benzyloxy)methyl]octahydro-2H-pentaleno[1,6-bc]furan-2-one 2.alpha.-benzyloxymethylbicyclo[3.3.0]octane-4.alpha.,6.alpha.-carbolatone
Wiley ID 1276443