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13-(Methoxycarbonyl)-14-hydroxy-17-benzyl[11]metacyclophane
SpectraBase Compound ID 7mvrUw01k3S
InChI InChI=1S/C26H34O3/c1-29-26(28)25-22-17-13-8-6-4-2-3-5-7-12-16-21(19-24(25)27)23(22)18-20-14-10-9-11-15-20/h9-11,14-15,19,27H,2-8,12-13,16-18H2,1H3
InChIKey XARCUCCDUVIFQC-UHFFFAOYSA-N
Mol Weight 394.6 g/mol
Molecular Formula C26H34O3
Exact Mass 394.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JvvAAi00ahR
Name 13-(Methoxycarbonyl)-14-hydroxy-17-benzyl[11]metacyclophane
Alternate Name(s) Methyl 17-benzyl-15-hydroxybicyclo[11.3.1]heptadeca-1(17),13,15-triene-14-carboxylate
CAS Registry Number 94294-21-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O3
InChI InChI=1S/C26H34O3/c1-29-26(28)25-22-17-13-8-6-4-2-3-5-7-12-16-21(19-24(25)27)23(22)18-20-14-10-9-11-15-20/h9-11,14-15,19,27H,2-8,12-13,16-18H2,1H3
InChIKey XARCUCCDUVIFQC-UHFFFAOYSA-N
Molecular Weight 394.555 g/mol
SMILES Oc1c(c2c(Cc3ccccc3)c(c1)CCCCCCCCCCC2)C(=O)OC
SPLASH splash10-06rf-9897000000-7f203202cf32bafab987
Source of Spectrum J-50-456-17
Wiley ID 1366847