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1(3H)-Isobenzofuranone, 3a,4,7,7a-tetrahydro-3-(hydroxymethyl)-, [3S-(3.alpha.,3a.alpha.,7a.alpha.)]-
SpectraBase Compound ID If7YFQg0Fhq
InChI InChI=1S/C9H12O3/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-2,6-8,10H,3-5H2/t6-,7+,8+/m0/s1
InChIKey YIDWWXHEGSTYKG-XLPZGREQSA-N
Mol Weight 168.19 g/mol
Molecular Formula C9H12O3
Exact Mass 168.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Rj1wsezTq6
Name 1(3H)-Isobenzofuranone, 3a,4,7,7a-tetrahydro-3-(hydroxymethyl)-, [3S-(3.alpha.,3a.alpha.,7a.alpha.)]-
CAS Registry Number 106795-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3
InChI InChI=1S/C9H12O3/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-2,6-8,10H,3-5H2/t6-,7+,8+/m0/s1
InChIKey YIDWWXHEGSTYKG-XLPZGREQSA-N
Molecular Weight 168.192 g/mol
SMILES OC[C@]1(OC([C@]2([C@@]1(CC=CC2)[H])[H])=O)[H]
SPLASH splash10-004i-9100000000-e32ca199b531414a0e4d
Source of Spectrum F-44-1717-11
Synonyms (1R,6S,7S)-7-Hydroxymethyl-8-oxabicyclo[4.3.0]non-3-en-9-one (3S,3aS,7aR)-3-(hydroxymethyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one
Wiley ID 1164355