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1(3H)-Isobenzofuranone, 3a,4,7,7a-tetrahydro-3-(methoxymethyl)-, [3S-(3.alpha.,3a.alpha.,7a.alpha.)]-
SpectraBase Compound ID 7eDSHk3KJdr
InChI InChI=1S/C10H14O3/c1-12-6-9-7-4-2-3-5-8(7)10(11)13-9/h2-3,7-9H,4-6H2,1H3/t7-,8+,9-/m1/s1
InChIKey RTXRZONTBNCVIH-HRDYMLBCSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VWjOOqnbN4
Name 1(3H)-Isobenzofuranone, 3a,4,7,7a-tetrahydro-3-(methoxymethyl)-, [3S-(3.alpha.,3a.alpha.,7a.alpha.)]-
CAS Registry Number 106795-90-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-12-6-9-7-4-2-3-5-8(7)10(11)13-9/h2-3,7-9H,4-6H2,1H3/t7-,8+,9-/m1/s1
InChIKey RTXRZONTBNCVIH-HRDYMLBCSA-N
Molecular Weight 182.219 g/mol
SMILES C1(O[C@](COC)([C@]2([C@@]1(CC=CC2)[H])[H])[H])=O
SPLASH splash10-004i-9300000000-9521b53e353acaa6c933
Source of Spectrum F-44-1717-13
Synonyms (1R,6S,7S)-7-Methoxymethyl-8-oxabicyclo[4.3.0]non-3-en-9-one (3S,3aR,7aS)-3-(methoxymethyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1(3H)-one
Wiley ID 1178458