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(+-)-(3S,3aR,7aR)-3-(Hydroxymethyl)-6-methyl-1,3,3a,4,7,7a-hexahydro-4-isobenzofuranone
SpectraBase Compound ID ennDudzSWd
InChI InChI=1S/C10H14O3/c1-6-2-7-5-13-9(4-11)10(7)8(12)3-6/h3,7,9-11H,2,4-5H2,1H3/t7-,9+,10-/m0/s1
InChIKey LJAZGQVYZAVBOW-SFGNSQDASA-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 GI9Sancs1kV
Name (+-)-(3S,3aR,7aR)-3-(Hydroxymethyl)-6-methyl-1,3,3a,4,7,7a-hexahydro-4-isobenzofuranone
Alternate Name(s) (3S,3aR,7aR)-3-(hydroxymethyl)-6-methyl-3,3a,7,7a-tetrahydro-2-benzofuran-4(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-6-2-7-5-13-9(4-11)10(7)8(12)3-6/h3,7,9-11H,2,4-5H2,1H3/t7-,9+,10-/m0/s1
InChIKey LJAZGQVYZAVBOW-SFGNSQDASA-N
Molecular Weight 182.219 g/mol
SMILES OC[C@]1(OC[C@]2([C@]1(C(C=C(C2)C)=O)[H])[H])[H]
SPLASH splash10-0gb9-7900000000-903c6833460aa64bfb61
Source of Spectrum F-68-4245-16
Wiley ID 1572534