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5-Heptynoic acid, 7-[tetrahydro-2-oxo-4-[1-(phenylsulfonyl)-2-octenyl]-3-furanyl]-, methyl ester
SpectraBase Compound ID 2gi8MdanIVq
InChI InChI=1S/C26H34O6S/c1-3-4-5-6-13-18-24(33(29,30)21-15-10-9-11-16-21)23-20-32-26(28)22(23)17-12-7-8-14-19-25(27)31-2/h9-11,13,15-16,18,22-24H,3-6,8,14,17,19-20H2,1-2H3/b18-13+
InChIKey XLVFBJFPNYTXJC-QGOAFFKASA-N
Mol Weight 474.6 g/mol
Molecular Formula C26H34O6S
Exact Mass 474.20761 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J6Ngza6xdAN
Name 5-Heptynoic acid, 7-[tetrahydro-2-oxo-4-[1-(phenylsulfonyl)-2-octenyl]-3-furanyl]-, methyl ester
CAS Registry Number 114144-31-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O6S
InChI InChI=1S/C26H34O6S/c1-3-4-5-6-13-18-24(33(29,30)21-15-10-9-11-16-21)23-20-32-26(28)22(23)17-12-7-8-14-19-25(27)31-2/h9-11,13,15-16,18,22-24H,3-6,8,14,17,19-20H2,1-2H3/b18-13+
InChIKey XLVFBJFPNYTXJC-QGOAFFKASA-N
Molecular Weight 474.612 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C1C(C(=O)OC1)CC#CCCCC(=O)OC)\C=C\CCCCC
SPLASH splash10-03g4-4912000000-2fc94cc90cee3f99c20f
Source of Spectrum B-40-1262-18
Synonyms Methyl 13-(benzenesulfonyl)-9-oxo-10-oxaprost-14-en-5-ynoate Methyl 7-{2-oxo-4-[(2E)-1-(phenylsulfonyl)-2-octenyl]tetrahydro-3-furanyl}-5-heptynoate
Wiley ID 1393859