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3-[3-hydroxy-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SpectraBase Compound ID 4k6b4G8Zo1b
InChI InChI=1S/C25H28O4/c26-24(27)22(12-16-9-10-17-5-1-2-6-18(17)11-16)14-21-13-19-7-3-4-8-20(19)15-23(21)25(28)29/h9-11,13,15,22H,1-8,12,14H2,(H,26,27)(H,28,29)
InChIKey YZRMWLUFTMMXJC-UHFFFAOYSA-N
Mol Weight 392.5 g/mol
Molecular Formula C25H28O4
Exact Mass 392.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GlAfO3XmIX
Name 3-[3-hydroxy-3-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Alternate Name(s) 3-[3-oxidanyl-3-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid 7-[3-hydroxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-6-carboxylic acid 3-[2-carboxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CAS Registry Number 125868-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O4
InChI InChI=1S/C25H28O4/c26-24(27)22(12-16-9-10-17-5-1-2-6-18(17)11-16)14-21-13-19-7-3-4-8-20(19)15-23(21)25(28)29/h9-11,13,15,22H,1-8,12,14H2,(H,26,27)(H,28,29)
InChIKey YZRMWLUFTMMXJC-UHFFFAOYSA-N
Molecular Weight 392.495 g/mol
SMILES OC(c1c(CC(C(=O)O)Cc2cc3CCCCc3cc2)cc2c(c1)CCCC2)=O
SPLASH splash10-006w-0905000000-2b8487780a61dfa6f699
Source of Spectrum AH-120-618-26
Wiley ID 1366003