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(3aS,7aR)-6-vinyl-3a,4,7,7a-tetrahydroisobenzofuran-1(3H)-one
SpectraBase Compound ID 1rTFQ5c5OhD
InChI InChI=1S/C10H12O2/c1-2-7-3-4-8-6-12-10(11)9(8)5-7/h2-3,8-9H,1,4-6H2/t8-,9-/m1/s1
InChIKey XWRXVZHLADEZMY-RKDXNWHRSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GOcEEpztXmH
Name (3aS,7aR)-6-vinyl-3a,4,7,7a-tetrahydroisobenzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-2-7-3-4-8-6-12-10(11)9(8)5-7/h2-3,8-9H,1,4-6H2/t8-,9-/m1/s1
InChIKey XWRXVZHLADEZMY-RKDXNWHRSA-N
Literature Reference DOI 10.1002/anie.201302185
Molecular Weight 164.204 g/mol
SMILES C1[C@@]2([C@](CC=C1C=C)(COC2=O)[H])[H]
SPLASH splash10-02tc-4900000000-baff3b9a0480ca05e4f9
Source of Spectrum ACI-52-SMS8-S_2b
Wiley ID 1781469