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1(2H)-Naphthalenone, octahydro-5-hydroxy-5-[(3-methoxyphenyl)ethynyl]-
SpectraBase Compound ID A8uzIvcXJSA
InChI InChI=1S/C19H22O3/c1-22-15-6-2-5-14(13-15)10-12-19(21)11-4-7-16-17(19)8-3-9-18(16)20/h2,5-6,13,16-17,21H,3-4,7-9,11H2,1H3
InChIKey ZENPXSROBMXPQX-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kkf5ZZfg8at
Name 1(2H)-Naphthalenone, octahydro-5-hydroxy-5-[(3-methoxyphenyl)ethynyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-22-15-6-2-5-14(13-15)10-12-19(21)11-4-7-16-17(19)8-3-9-18(16)20/h2,5-6,13,16-17,21H,3-4,7-9,11H2,1H3
InChIKey ZENPXSROBMXPQX-UHFFFAOYSA-N
Molecular Weight 298.382 g/mol
SMILES OC1(C#Cc2cc(OC)ccc2)C2C(C(=O)CCC2)CCC1
SPLASH splash10-0avj-3920000000-f39f2ab90c6729bd4f21
Source of Spectrum IY-1-4295-5
Synonyms 5-Hydroxy-5-[(3-methoxyphenyl)ethynyl]octahydronaphthalen-1(2H)-one 5-Hydroxy-5-[2-(3-methoxyphenyl)ethynyl]-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one 5-[2-(3-methoxyphenyl)ethynyl]-5-oxidanyl-2,3,4,4a,6,7,8,8a-octahydronaphthalen-1-one
Wiley ID 1650945