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1,4-Naphthalenedione, 5-methoxy-2-(2-propenyl)-3-[1-[(tetrahydro-2H-pyran-2-yl)oxy]butyl]-
SpectraBase Compound ID BhHkOMQuCL6
InChI InChI=1S/C23H28O5/c1-4-9-15-21(18(10-5-2)28-19-13-6-7-14-27-19)23(25)20-16(22(15)24)11-8-12-17(20)26-3/h4,8,11-12,18-19H,1,5-7,9-10,13-14H2,2-3H3
InChIKey PZJXLRJJZHBNCI-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gf2GMrChled
Name 1,4-Naphthalenedione, 5-methoxy-2-(2-propenyl)-3-[1-[(tetrahydro-2H-pyran-2-yl)oxy]butyl]-
CAS Registry Number 118172-13-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-4-9-15-21(18(10-5-2)28-19-13-6-7-14-27-19)23(25)20-16(22(15)24)11-8-12-17(20)26-3/h4,8,11-12,18-19H,1,5-7,9-10,13-14H2,2-3H3
InChIKey PZJXLRJJZHBNCI-UHFFFAOYSA-N
Molecular Weight 384.472 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)c(OC)ccc2)CC=C)C(OC1OCCCC1)CCC
SPLASH splash10-000i-9054000000-9b8f4cdf5dc2673453ee
Source of Spectrum C-111-995-0
Synonyms 2-Allyl-5-methoxy-3-[1-(tetrahydro-2H-pyran-2-yloxy)butyl]naphthoquinone 5-Methoxy-2-(2-propenyl)-3-[1-(tetrahydropyran-2-yloxy)butyl]naphthalene-1,4-dione
Wiley ID 1361739